/tools/mol2ecfp4
mol2ecfp4
UnixJunkie/mol2ecfp4
9 stars3 forksPythonAdded February 4, 2026
summary
The mol2ecfp4 tool converts molecular structures into their ECFP4 bitstring representation using the RDKit library. This representation is useful for various applications in molecular property prediction and cheminformatics.
description
convert molecules to their ECFP4 fingerprint using rdkit
topics
ecfp4mol2sdfrdkitpython-script
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