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basiekjusz
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Merge branch 'main' into improvement/rename-compound-metadata
2 parents 1a39219 + c812435 commit e9d7677

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README.md

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@@ -86,12 +86,10 @@ search = m1wrapper.run_batch_search(
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)
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```
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### Batch scoring request with targets metadata
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`run_search_with_metadata(targets_with_metadata, parameters, detail_level, priority, invalid_target_strategy, starting_materials, name)`
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- _targets_with_metadata_: list of target compounds with metadata. Each target compound should be a dictionary object of shape `{ smiles: str, name: str}` where the only required field is `smiles`.
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- _parameters_ (optional): additional configuration for your batch
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### Batch scoring request with compound metadata
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`run_batch_search_with_metadata(targets_with_metadata, parameters, detail_level, priority, invalid_target_strategy, starting_materials, name)`
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- *targets_with_metadata*: list of target compounds with metadata. Each target compound should be a dictionary object of shape `{ 'smiles': str, 'name': str}` where the only required field is `smiles`.
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- *parameters* (optional): additional configuration for your batch
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scoring request. See [Batch Scoring API](https://github.com/molecule-one/api/blob/master/api-v2.md) for more information.
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- _detail_level_ (optional): [detail level of the batch request](#batch-scoring-detail-level)
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- _priority_ (optional): [priority of the batch request](#batch-scoring-priorities)
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- _name_ (optional): name of your batch request
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```py
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run_search_with_metadata(targets_with_metadata=[{name: 'compound1', smiles: a}, {smiles: b}, {name: 'compound3', smiles: c}], priority=Priority.HIGH)
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run_batch_search_with_metadata(
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targets_with_metadata=[{'name': 'compound1', 'smiles': 'cc'}, {'smiles': 'O=C(Nc1cc(Nc2nc(-c3cnccc3)ccn2)c(cc1)C)c3ccc(cc3)CN3CCN(CC3)C'}, {'name': 'compound3', 'smiles': 'CC'}],
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priority=Priority.HIGH
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)
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```
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### Getting exisiting scoring request by id:

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