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Author:
Gregory W. Kyro, Anton Morgunov & Rafael I. Brent
License:
Summary:
ChemSpaceAL Python package: an efficient active learning methodology applied to protein-specific molecular generation
Latest version:
2.0.1
Required dependencies:
numpy
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pandas
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prolif
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pyyaml
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rdkit
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scikit-learn
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torch
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tqdm
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wandb
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