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Projects in Awesome Lists tagged with ecfp4

A curated list of projects in awesome lists tagged with ecfp4 .

https://github.com/unixjunkie/mol2ecfp4

convert molecules to their ECFP4 fingerprint using rdkit

ecfp4 mol2 python-script rdkit sdf

Last synced: 15 Oct 2024

https://github.com/unixjunkie/consent

ligand-based virtual screening with consensus queries

chemical chemoinformatics consensus ecfp4 fingerprint lbvs ligand maccs molprint2d ocaml

Last synced: 15 Oct 2024