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View All on GitHub Implement molecular clustering 2 days ago
good first issue feature
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
Descriptor with element counts 2 months ago
enhancement good first issue
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
Use default `conf_id=0` when not provided explicitly 4 months ago
enhancement good first issue
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
`MolFromSDFTransformer` should set `conf_id` 5 months ago
bug good first issue
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
Support `Path` for file reading 5 months ago
enhancement good first issue
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
Add additional fingerprints 5 months ago
good first issue feature
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
Filter indicators wrong return type 6 months ago
bug good first issue
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
LINGO fingerprint - small fixes 7 months ago
enhancement good first issue
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn
enhancement good first issue
MLCIL/scikit-fingerprints MLCIL/scikit-fingerprints Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Open project →
377
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
Python
#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn