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chemfeat


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Author: None
License: MIT License Copyright (c) 2023, Inria Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in th...
Summary: Calculate feature vectors for molecules using cheminformatics libraries.
Latest version: 2024.1
Required dependencies: docstring-parser | padel-pywrapper | pandas | pyyaml | rdkit | simple-file-lock

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