ecfp4
There are 5 repositories under ecfp4 topic.
UnixJunkie/consent
ligand-based virtual screening with consensus queries
UnixJunkie/mol2ecfp4
convert molecules to their ECFP4 fingerprint using rdkit
lhm30/scikitlearn_clustermap_rdkit_bicluster_molecules
hacked code to bicluster molecules using rdkit and scikitlearn
RollerCoaster1899/AutoQSAR
Automatic QSAR workflow for Python
Tamina2022/Tamina-ML-Tg-project
Data-Driven Approach to Predict Polymer Glass Transition Temperature: Interpretability and Extrapolation