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Optimization with Huge Speedup: Dask Dataframes Instead of Manual Dataframe Iterations (#240)
* init * add tests * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * resolve comments * Squashed commit of the following: commit 56888eb Merge: d169628 9068a93 Author: Selman Özleyen <32667648+selmanozleyen@users.noreply.github.com> Date: Fri Jun 13 12:03:07 2025 +0200 Merge pull request #235 from theislab/feature/predict_batch Feature and Speedup: `predict_batch` commit d169628 Merge: f6cdf17 801adf0 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri Jun 13 11:28:18 2025 +0200 Merge pull request #239 from theislab/feature/ooc-dataloading Feature: Out of Core Dataloading Option commit 801adf0 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 15:31:53 2025 +0200 add return types commit 6d44054 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:56:48 2025 +0200 update error message commit 3bda128 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:56:20 2025 +0200 document better commit de3b6ee Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu Jun 12 11:51:03 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 8f18574 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:50:55 2025 +0200 remove unused fixture commit 8e808a9 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu Jun 12 11:17:33 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 67e64e1 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:17:22 2025 +0200 add tests commit ab95081 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 12:08:48 2025 +0200 throw error when there isn't any valid indices commit 9068a93 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu Jun 12 09:38:43 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit d65151a Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 11:38:34 2025 +0200 When using PredictionSampler we can't use batched mode commit bb941ea Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 11:33:45 2025 +0200 clarify documentation that this requires same number of cells commit 7461dc3 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sun Jun 1 16:07:15 2025 +0200 Fix type error commit 04566e7 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Tue May 27 17:11:02 2025 +0200 Replace tree map commit 4a9bbcd Merge: 855c5d9 f6cdf17 Author: LeonStadelmann <169152764+LeonStadelmann@users.noreply.github.com> Date: Tue May 27 16:58:19 2025 +0200 Merge branch 'main' into feature/predict_batch commit f6cdf17 Merge: b4b7c96 70766f5 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 27 09:10:57 2025 +0200 Merge pull request #246 from theislab/pre-commit-ci-update-config [pre-commit.ci] pre-commit autoupdate commit b4b7c96 Merge: 7a69c5d b67804f Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 27 09:10:36 2025 +0200 Merge pull request #245 from theislab/feature/stochastic_to_cellflow_class pass rng from cellflow.predict commit 70766f5 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon May 26 18:56:02 2025 +0000 [pre-commit.ci] pre-commit autoupdate updates: - [github.com/biomejs/pre-commit: v2.0.0-beta.4 → v2.0.0-beta.5](biomejs/pre-commit@v2.0.0-beta.4...v2.0.0-beta.5) - [github.com/tox-dev/pyproject-fmt: v2.5.1 → v2.6.0](tox-dev/pyproject-fmt@v2.5.1...v2.6.0) - [github.com/astral-sh/ruff-pre-commit: v0.11.10 → v0.11.11](astral-sh/ruff-pre-commit@v0.11.10...v0.11.11) commit b67804f Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Mon May 26 11:03:13 2025 +0200 fix callback/ commit b9bc6c2 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Mon May 26 09:04:25 2025 +0200 pass rng from cellflow.predict commit 7a69c5d Merge: ce064e3 50a3cc8 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:17:03 2025 +0200 Merge pull request #238 from theislab/pre-commit-ci-update-config [pre-commit.ci] pre-commit autoupdate commit ce064e3 Merge: 6cb5540 b6c0bdb Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:14:53 2025 +0200 Merge pull request #215 from theislab/add/solver_callback Add solver to callback call commit 6cb5540 Merge: 0dbf90f 83db489 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:05:14 2025 +0200 Merge pull request #233 from theislab/tutorial/combosciplex add combosciplex commit 0dbf90f Merge: d8ae659 69327d9 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:04:55 2025 +0200 Merge pull request #244 from theislab/tests/find_failing2 deprecation python 3.10 commit 69327d9 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 15:42:55 2025 +0200 enable all tests commit 83db489 Merge: 63c4966 d8ae659 Author: Dominik Klein <domin.klein@gmail.com> Date: Fri May 23 15:29:53 2025 +0200 Merge branch 'main' into tutorial/combosciplex commit 63c4966 Author: Dominik Klein <domin.klein@gmail.com> Date: Fri May 23 15:22:53 2025 +0200 add combosciplex commit 855c5d9 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Fri May 23 14:59:56 2025 +0200 revert duplicate removal commit 235bc0e Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Fri May 23 14:03:43 2025 +0200 emove duplicate commit 24ade1e Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Fri May 23 14:01:31 2025 +0200 Add testing for genot predict commit 340b696 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 12:23:15 2025 +0200 only enable test_cellflow_with_validation commit 9dfcd18 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 11:50:27 2025 +0200 skip some tests again commit f481dac Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:38:10 2025 +0200 enable more tests again commit 6bb6550 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:27:57 2025 +0200 deprecate 3.10 commit 8e8d2ad Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:26:24 2025 +0200 deprecate 3.10 commit 11d2f55 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:24:35 2025 +0200 deprecate 3.10 commit 459f435 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:22:14 2025 +0200 enable some more tests commit 0b56b4c Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:05:24 2025 +0200 skip more tests commit 2e7aac9 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 09:48:30 2025 +0200 skip more tests commit d8ae659 Merge: 70eec9a f3c840c Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 16:27:36 2025 +0200 Merge pull request #241 from theislab/fix/tokenattention fix TokenAttention commit 0da9154 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 16:25:26 2025 +0200 skip more tests commit 7de55b3 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 15:06:36 2025 +0200 skip more tests commit 6e266a2 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu May 22 11:17:07 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 7840c80 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 13:16:42 2025 +0200 skip gene emb tests commit f3c840c Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 08:41:30 2025 +0200 update scvi dependency commit fd76f07 Author: selmanozleyen <syozleyen@gmail.com> Date: Wed May 21 13:15:15 2025 +0200 add genot commit e97edd2 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Wed May 21 12:41:07 2025 +0200 Handle empty input commit 454734e Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 19:31:39 2025 +0200 revert previous precommit changes commit 0884a8b Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 17:17:10 2025 +0200 fix tests commit 186bcaa Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 15:35:46 2025 +0200 fix tests commit c5c0494 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 15:30:09 2025 +0200 fix TokenAttention commit 1e585cd Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue May 20 10:46:42 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 5dc4a54 Author: selmanozleyen <syozleyen@gmail.com> Date: Tue May 20 12:45:24 2025 +0200 support both dataloaders commit dd098fa Author: selmanozleyen <syozleyen@gmail.com> Date: Tue May 20 11:21:35 2025 +0200 init commit 50a3cc8 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon May 19 18:57:43 2025 +0000 [pre-commit.ci] pre-commit autoupdate updates: - [github.com/biomejs/pre-commit: v2.0.0-beta.3 → v2.0.0-beta.4](biomejs/pre-commit@v2.0.0-beta.3...v2.0.0-beta.4) - [github.com/astral-sh/ruff-pre-commit: v0.11.9 → v0.11.10](astral-sh/ruff-pre-commit@v0.11.9...v0.11.10) commit 2ccb43d Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sun May 18 12:33:32 2025 +0200 Add batched predict test commit 10edee2 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sat May 17 20:11:45 2025 +0200 Adjust docs commit b6c0bdb Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sat May 17 17:42:27 2025 +0200 fix docs commit 021aff0 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu May 15 12:42:30 2025 +0200 update implementation so that two functions predict and predict batch are unified commit 6bdbf5c Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue May 13 16:24:30 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit db6dc69 Author: selman.ozleyen <syozleyen@gmail.com> Date: Tue May 13 18:20:22 2025 +0200 needs testing commit a3c43d3 Author: selman.ozleyen <syozleyen@gmail.com> Date: Tue May 13 18:00:26 2025 +0200 condition keys left to add commit 03dfb2b Author: selman.ozleyen <syozleyen@gmail.com> Date: Tue May 13 17:50:41 2025 +0200 init commit f1e8704 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon May 12 11:24:11 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit facf52d Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Mon May 12 13:23:52 2025 +0200 Added source data parameter + stochastic test commit 04a1d2c Author: Dominik Klein <domin.klein@gmail.com> Date: Fri May 9 13:35:02 2025 +0200 add combosciplex commit 54e2386 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu May 1 16:16:21 2025 +0200 Rename flow commit ac8d073 Merge: 5327a05 4970ad4 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu May 1 16:14:11 2025 +0200 Merge branch 'main' into add/solver_callback commit 5327a05 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu May 1 12:37:09 2025 +0200 Added test for custom callbacks commit e650031 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu Apr 24 18:09:57 2025 +0200 Add typing and solver for on_train_end commit 5e18f6e Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Mon Apr 21 16:57:33 2025 +0200 Add solver to callback call * Revert "resolve comments" This reverts commit 1429cab. * Revert "Revert "resolve comments"" This reverts commit 6f0d747. * Revert "Squashed commit of the following:" This reverts commit d850771. * fix TokenAttention * fix tests * fix tests * revert previous precommit changes * update scvi dependency * skip gene emb tests * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * skip more tests * skip more tests * skip more tests * skip more tests * enable some more tests * deprecate 3.10 * deprecate 3.10 * deprecate 3.10 * enable more tests again * skip some tests again * only enable test_cellflow_with_validation * enable all tests * add combosciplex * add combosciplex * Add solver to callback call * Add typing and solver for on_train_end * Added test for custom callbacks * Rename flow * Added source data parameter + stochastic test * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * fix docs * [pre-commit.ci] pre-commit autoupdate updates: - [github.com/biomejs/pre-commit: v2.0.0-beta.3 → v2.0.0-beta.4](biomejs/pre-commit@v2.0.0-beta.3...v2.0.0-beta.4) - [github.com/astral-sh/ruff-pre-commit: v0.11.9 → v0.11.10](astral-sh/ruff-pre-commit@v0.11.9...v0.11.10) * pass rng from cellflow.predict * fix callback/ * [pre-commit.ci] pre-commit autoupdate updates: - [github.com/biomejs/pre-commit: v2.0.0-beta.4 → v2.0.0-beta.5](biomejs/pre-commit@v2.0.0-beta.4...v2.0.0-beta.5) - [github.com/tox-dev/pyproject-fmt: v2.5.1 → v2.6.0](tox-dev/pyproject-fmt@v2.5.1...v2.6.0) - [github.com/astral-sh/ruff-pre-commit: v0.11.10 → v0.11.11](astral-sh/ruff-pre-commit@v0.11.10...v0.11.11) * init * support both dataloaders * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * throw error when there isn't any valid indices * add tests * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * remove unused fixture * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * document better * update error message * add return types * init * condition keys left to add * needs testing * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * update implementation so that two functions predict and predict batch are unified * Adjust docs * Add batched predict test * Handle empty input * add genot * Add testing for genot predict * emove duplicate * revert duplicate removal * Replace tree map * Fix type error * clarify documentation that this requires same number of cells * When using PredictionSampler we can't use batched mode * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * init add tests [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci resolve comments Squashed commit of the following: commit 56888eb Merge: d169628 9068a93 Author: Selman Özleyen <32667648+selmanozleyen@users.noreply.github.com> Date: Fri Jun 13 12:03:07 2025 +0200 Merge pull request #235 from theislab/feature/predict_batch Feature and Speedup: `predict_batch` commit d169628 Merge: f6cdf17 801adf0 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri Jun 13 11:28:18 2025 +0200 Merge pull request #239 from theislab/feature/ooc-dataloading Feature: Out of Core Dataloading Option commit 801adf0 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 15:31:53 2025 +0200 add return types commit 6d44054 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:56:48 2025 +0200 update error message commit 3bda128 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:56:20 2025 +0200 document better commit de3b6ee Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu Jun 12 11:51:03 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 8f18574 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:50:55 2025 +0200 remove unused fixture commit 8e808a9 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu Jun 12 11:17:33 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 67e64e1 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 13:17:22 2025 +0200 add tests commit ab95081 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 12:08:48 2025 +0200 throw error when there isn't any valid indices commit 9068a93 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu Jun 12 09:38:43 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit d65151a Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 11:38:34 2025 +0200 When using PredictionSampler we can't use batched mode commit bb941ea Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu Jun 12 11:33:45 2025 +0200 clarify documentation that this requires same number of cells commit 7461dc3 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sun Jun 1 16:07:15 2025 +0200 Fix type error commit 04566e7 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Tue May 27 17:11:02 2025 +0200 Replace tree map commit 4a9bbcd Merge: 855c5d9 f6cdf17 Author: LeonStadelmann <169152764+LeonStadelmann@users.noreply.github.com> Date: Tue May 27 16:58:19 2025 +0200 Merge branch 'main' into feature/predict_batch commit f6cdf17 Merge: b4b7c96 70766f5 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 27 09:10:57 2025 +0200 Merge pull request #246 from theislab/pre-commit-ci-update-config [pre-commit.ci] pre-commit autoupdate commit b4b7c96 Merge: 7a69c5d b67804f Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 27 09:10:36 2025 +0200 Merge pull request #245 from theislab/feature/stochastic_to_cellflow_class pass rng from cellflow.predict commit 70766f5 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon May 26 18:56:02 2025 +0000 [pre-commit.ci] pre-commit autoupdate updates: - [github.com/biomejs/pre-commit: v2.0.0-beta.4 → v2.0.0-beta.5](biomejs/pre-commit@v2.0.0-beta.4...v2.0.0-beta.5) - [github.com/tox-dev/pyproject-fmt: v2.5.1 → v2.6.0](tox-dev/pyproject-fmt@v2.5.1...v2.6.0) - [github.com/astral-sh/ruff-pre-commit: v0.11.10 → v0.11.11](astral-sh/ruff-pre-commit@v0.11.10...v0.11.11) commit b67804f Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Mon May 26 11:03:13 2025 +0200 fix callback/ commit b9bc6c2 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Mon May 26 09:04:25 2025 +0200 pass rng from cellflow.predict commit 7a69c5d Merge: ce064e3 50a3cc8 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:17:03 2025 +0200 Merge pull request #238 from theislab/pre-commit-ci-update-config [pre-commit.ci] pre-commit autoupdate commit ce064e3 Merge: 6cb5540 b6c0bdb Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:14:53 2025 +0200 Merge pull request #215 from theislab/add/solver_callback Add solver to callback call commit 6cb5540 Merge: 0dbf90f 83db489 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:05:14 2025 +0200 Merge pull request #233 from theislab/tutorial/combosciplex add combosciplex commit 0dbf90f Merge: d8ae659 69327d9 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 17:04:55 2025 +0200 Merge pull request #244 from theislab/tests/find_failing2 deprecation python 3.10 commit 69327d9 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 15:42:55 2025 +0200 enable all tests commit 83db489 Merge: 63c4966 d8ae659 Author: Dominik Klein <domin.klein@gmail.com> Date: Fri May 23 15:29:53 2025 +0200 Merge branch 'main' into tutorial/combosciplex commit 63c4966 Author: Dominik Klein <domin.klein@gmail.com> Date: Fri May 23 15:22:53 2025 +0200 add combosciplex commit 855c5d9 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Fri May 23 14:59:56 2025 +0200 revert duplicate removal commit 235bc0e Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Fri May 23 14:03:43 2025 +0200 emove duplicate commit 24ade1e Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Fri May 23 14:01:31 2025 +0200 Add testing for genot predict commit 340b696 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 12:23:15 2025 +0200 only enable test_cellflow_with_validation commit 9dfcd18 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 11:50:27 2025 +0200 skip some tests again commit f481dac Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:38:10 2025 +0200 enable more tests again commit 6bb6550 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:27:57 2025 +0200 deprecate 3.10 commit 8e8d2ad Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:26:24 2025 +0200 deprecate 3.10 commit 11d2f55 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:24:35 2025 +0200 deprecate 3.10 commit 459f435 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:22:14 2025 +0200 enable some more tests commit 0b56b4c Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 10:05:24 2025 +0200 skip more tests commit 2e7aac9 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Fri May 23 09:48:30 2025 +0200 skip more tests commit d8ae659 Merge: 70eec9a f3c840c Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 16:27:36 2025 +0200 Merge pull request #241 from theislab/fix/tokenattention fix TokenAttention commit 0da9154 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 16:25:26 2025 +0200 skip more tests commit 7de55b3 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 15:06:36 2025 +0200 skip more tests commit 6e266a2 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu May 22 11:17:07 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 7840c80 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 13:16:42 2025 +0200 skip gene emb tests commit f3c840c Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Thu May 22 08:41:30 2025 +0200 update scvi dependency commit fd76f07 Author: selmanozleyen <syozleyen@gmail.com> Date: Wed May 21 13:15:15 2025 +0200 add genot commit e97edd2 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Wed May 21 12:41:07 2025 +0200 Handle empty input commit 454734e Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 19:31:39 2025 +0200 revert previous precommit changes commit 0884a8b Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 17:17:10 2025 +0200 fix tests commit 186bcaa Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 15:35:46 2025 +0200 fix tests commit c5c0494 Author: Dominik Klein <dominik.klein@helmholtz-munich.de> Date: Tue May 20 15:30:09 2025 +0200 fix TokenAttention commit 1e585cd Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue May 20 10:46:42 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit 5dc4a54 Author: selmanozleyen <syozleyen@gmail.com> Date: Tue May 20 12:45:24 2025 +0200 support both dataloaders commit dd098fa Author: selmanozleyen <syozleyen@gmail.com> Date: Tue May 20 11:21:35 2025 +0200 init commit 50a3cc8 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon May 19 18:57:43 2025 +0000 [pre-commit.ci] pre-commit autoupdate updates: - [github.com/biomejs/pre-commit: v2.0.0-beta.3 → v2.0.0-beta.4](biomejs/pre-commit@v2.0.0-beta.3...v2.0.0-beta.4) - [github.com/astral-sh/ruff-pre-commit: v0.11.9 → v0.11.10](astral-sh/ruff-pre-commit@v0.11.9...v0.11.10) commit 2ccb43d Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sun May 18 12:33:32 2025 +0200 Add batched predict test commit 10edee2 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sat May 17 20:11:45 2025 +0200 Adjust docs commit b6c0bdb Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Sat May 17 17:42:27 2025 +0200 fix docs commit 021aff0 Author: selman.ozleyen <syozleyen@gmail.com> Date: Thu May 15 12:42:30 2025 +0200 update implementation so that two functions predict and predict batch are unified commit 6bdbf5c Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue May 13 16:24:30 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit db6dc69 Author: selman.ozleyen <syozleyen@gmail.com> Date: Tue May 13 18:20:22 2025 +0200 needs testing commit a3c43d3 Author: selman.ozleyen <syozleyen@gmail.com> Date: Tue May 13 18:00:26 2025 +0200 condition keys left to add commit 03dfb2b Author: selman.ozleyen <syozleyen@gmail.com> Date: Tue May 13 17:50:41 2025 +0200 init commit f1e8704 Author: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon May 12 11:24:11 2025 +0000 [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci commit facf52d Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Mon May 12 13:23:52 2025 +0200 Added source data parameter + stochastic test commit 04a1d2c Author: Dominik Klein <domin.klein@gmail.com> Date: Fri May 9 13:35:02 2025 +0200 add combosciplex commit 54e2386 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu May 1 16:16:21 2025 +0200 Rename flow commit ac8d073 Merge: 5327a05 4970ad4 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu May 1 16:14:11 2025 +0200 Merge branch 'main' into add/solver_callback commit 5327a05 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu May 1 12:37:09 2025 +0200 Added test for custom callbacks commit e650031 Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Thu Apr 24 18:09:57 2025 +0200 Add typing and solver for on_train_end commit 5e18f6e Author: LeonStadelmann <leonstadlmnn@gmail.com> Date: Mon Apr 21 16:57:33 2025 +0200 Add solver to callback call Revert "resolve comments" This reverts commit 1429cab. Revert "Revert "resolve comments"" This reverts commit 6f0d747. Revert "Squashed commit of the following:" This reverts commit d850771. * add dask as dependency to see which tests fail * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * submit working version * remove get_condition_old * also remove function itself * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * partially working version * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * version closest to working so far * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * passes except condition_data * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * some state * save state before working on changing something * precommit * all works except condition_data * working version with models * change assert * all tests pass * format * format * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * fix primary_items * fix tests * all tests pass * fix the primary_group arg * remove assertion * remove some files * cleanup * format * fix not handling condition_id * add pyproject * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * add the old function properly in the tests * skip some tests on CI * remove pertpy from main dependencies and pin the version of pertpy * try to fix the issue with ubuntu * undo pertpy pinning * try to fix yaml files * reduce the number of slow cis * add pyarrpw for dask dataframes * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * add import error message to check what really is the problem with pertpy * modify dependency list until statsmodels/statsmodels#9584 is fixed * fix scipy thing * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * reduce the size of the model in test cases * Refactor/get cond data rewrite (#254) * save state * a bit more tidying * save state * add primary group to docstring * Revert "add import error message to check what really is the problem with pertpy" This reverts commit 2062f4c. * revert * revert train argument * fix the bizzare bug * make test_cellflow models even smaller * remove is conditional * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Dominik Klein <dominik.klein@helmholtz-munich.de> Co-authored-by: Dominik Klein <domin.klein@gmail.com> Co-authored-by: LeonStadelmann <leonstadlmnn@gmail.com>
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.github/workflows/test-slow.yaml

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name: Test Slow Functions
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on:
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push:
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branches: [main]
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pull_request:
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branches: [main]
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schedule:
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- cron: "0 5 1,15 * *"
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concurrency:
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group: ${{ github.workflow }}-${{ github.ref }}
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cancel-in-progress: true
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jobs:
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test-slow:
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runs-on: ${{ matrix.os }}
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defaults:
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run:
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shell: bash -e {0} # -e to fail on error
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strategy:
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fail-fast: false
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matrix:
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include:
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- os: ubuntu-latest
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python: "3.12"
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- os: macos-latest
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python: "3.12"
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name: ${{ matrix.name }} Python ${{ matrix.python }}
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env:
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OS: ${{ matrix.os }}
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PYTHON: ${{ matrix.python }}
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steps:
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- uses: actions/checkout@v4
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- name: Set up Python ${{ matrix.python }}
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uses: actions/setup-python@v4
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with:
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python-version: ${{ matrix.python }}
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cache: "pip"
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cache-dependency-path: "**/pyproject.toml"
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- name: Install test dependencies
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run: |
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python -m pip install --upgrade pip wheel
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- name: Install dependencies
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run: |
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pip install tox
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pip install ${{ matrix.pip-flags }} ".[optional-dependencies.dev,optional-dependencies.test,optional-dependencies.external,optional-dependencies.docs,optional-dependencies.embedding]"
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pip install wandb omegaconf
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- name: Test slow functions
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run: |
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tox -e py-${{ matrix.python }} -- -m "slow"
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env:
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PYTEST_ADDOPTS: -vv -n 2
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- name: Upload coverage reports to Codecov
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uses: codecov/codecov-action@v5
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with:
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token: ${{ secrets.CODECOV_TOKEN }}
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slug: theislab/cellflow

.github/workflows/test.yaml

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pip install wandb omegaconf
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- name: Test
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run: |
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tox -e py-${{ matrix.python }}
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tox -e py-${{ matrix.python }} -- -m "not slow"
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env:
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PYTEST_ADDOPTS: -vv -n 2
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pyproject.toml

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"anndata",
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"cloudpickle",
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"coverage",
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"dask",
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"diffrax",
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"flax",
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"orbax",
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"ott-jax==0.5",
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"pyarrow", # required for dask.dataframe
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"scanpy",
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"scikit-learn==1.5.1",
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"scipy<1.16", # see https://github.com/statsmodels/statsmodels/issues/9584
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"session-info",
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]
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# Missing docstring in __init__
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"D107",
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## Disable one in each pair of mutually incompatible rules
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# We dont want a blank line before a class docstring
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# We don't want a blank line before a class docstring
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"D203",
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# We want docstrings to start immediately after the opening triple quote
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"D213",
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addopts = [
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"--import-mode=importlib", # allow using test files with same name
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]
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markers = [
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"slow: marks tests as slow (deselect with '-m \"not slow\"')",
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]
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[tool.coverage.run]
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branch = true

src/cellflow/data/_data.py

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int, tuple[str, ...]
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] # (n_targets,), dictionary explaining perturbation_covariates_mask
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perturbation_idx_to_id: dict[int, Any]
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condition_data: dict[str, ArrayLike] # (n_targets,) all embeddings for conditions
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control_to_perturbation: dict[int, jax.Array] # mapping from control idx to target distribution idcs
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condition_data: dict[str, np.ndarray] # (n_targets,) all embeddings for conditions
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control_to_perturbation: dict[int, np.ndarray] # mapping from control idx to target distribution idcs
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max_combination_length: int
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null_value: Any
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data_manager: Any

src/cellflow/data/_dataloader.py

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from typing import Any, Literal
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import jax
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import jax.numpy as jnp
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import numpy as np
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from cellflow.data._data import PredictionData, TrainingData, ValidationData
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cov_combination = self._data.perturbation_idx_to_covariates[cond_idx] # type: ignore[attr-defined]
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return tuple(cov_combination[i] for i in range(len(cov_combination)))
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def _get_perturbation_to_control(self, data: ValidationData | PredictionData) -> dict[int, int]:
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def _get_perturbation_to_control(self, data: ValidationData | PredictionData) -> dict[int, np.ndarray]:
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d = {}
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for k, v in data.control_to_perturbation.items():
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for el in v:
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d[el] = k
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return d
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def _get_condition_data(self, cond_idx: int) -> jnp.ndarray:
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def _get_condition_data(self, cond_idx: int) -> dict[str, np.ndarray]:
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return {k: v[[cond_idx], ...] for k, v in self._data.condition_data.items()} # type: ignore[attr-defined]
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