add smiles->rdkit_desc transforms#138
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ncfrey merged 9 commits intoprescient-design:mainfrom Jul 22, 2025
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taylormjs
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* add smiles->rdkit_desc transforms * fix precommit * move dict to new constants file * add tests! * update docstrings * more docstring updates * address comments!
taylormjs
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* add smiles->rdkit_desc transforms * fix precommit * move dict to new constants file * add tests! * update docstrings * more docstring updates * address comments!
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n.b. this PR doesn't add any training/model functionality, just the transform itself. Still need to add tests, but want to make sure the structure is on the roughly correct path before going down it further.
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