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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -272,8 +272,23 @@ Now that we know Docker is functioning properly, we can begin building our Docke
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273273 This script will generate and (as NumPy array files - e.g., test_data/4heq_contact_prob_map.npy)
274274 save to the given input directory the predicted interface contact map as well as the Geometric
275- Transformer' s learned node and edge representations for both chain graphs. (By default, the script
276- also only uses the available CPU(s) for prediction via the default num_gpus=0 flag.)
275+ Transformer' s learned node and edge representations for both chain graphs.
276+
277+ 7. Note that by using the default
278+
279+ ```bash
280+ num_gpus=0
281+ ```
282+
283+ flag when executing the Docker container' s run script, the Docker container will only
284+ make use of the system' s available CPU(s) for prediction. However, by setting
285+ num_gpus to
286+
287+ ```bash
288+ num_gpus=1
289+ ```
290+
291+ the Docker container will then employ the first available GPU for prediction.
277292
278293## Running DeepInteract via a Traditional Installation (for Linux-Based Operating Systems)
279294
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