jaak-s / sparsechem Goto Github PK
View Code? Open in Web Editor NEWSparseChem library for model multi-task models for bioactivity and toxicity prediction
License: MIT License
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Add vanity CLI
It would be nice if the predict and train functions were included in the package such that you didn't need to think about the file paths. Further, you can use setuptools to assign a vanity CLI function, like sparsechem-train or sparsechem-predict.
Would you be interested in accepting a PR for that?
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