Add parallel processing to MoleculeCSVDataset using joblib #67
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Have not tested locally yet, I can't seem to get tests/scripts/task_unit_test.sh to use my conda env for testing. |
mufeili
reviewed
Aug 19, 2020
| @@ -45,7 +45,9 @@ def get_lib_path(): | |||
| 'numpy>=1.14.0', | |||
| 'scipy>=1.1.0', | |||
| 'networkx>=2.1', | |||
| 'hyperopt' | |||
| 'hyperopt', | |||
| 'dgl', | |||
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I don't recommend putting "dgl" here. The reason is that there are different variants of "dgl" for CPU/CUDA 9.0/CUDA 10.0, etc and it's better to let people install the version they want themselves.
mufeili
approved these changes
Aug 21, 2020
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Issue #, if available: #64
Description of changes:
Add new arg n_jobs to MoleculeCSVDataset initialization defaulting to 1. If this is > 1, joblib is used to parallelize _pre_process.
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