MLCIL/scikit-fingerprints

Implement molecular clustering about 3 hours ago

good first issue feature

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 28 days ago

enhancement good first issue

MLCIL/scikit-fingerprints

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` 28 days ago

bug good first issue

MLCIL/scikit-fingerprints

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 28 days ago

enhancement good first issue

MLCIL/scikit-fingerprints

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 29 days ago

good first issue feature

MLCIL/scikit-fingerprints

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 2 months ago

bug good first issue

MLCIL/scikit-fingerprints

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 3 months ago

enhancement good first issue

MLCIL/scikit-fingerprints

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 3 months ago

enhancement good first issue

MLCIL/scikit-fingerprints

377

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

Python

#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn

Change NNDescent to USearch in approximate Butina split 3 months ago

enhancement good first issue

MLCIL/scikit-fingerprints

377

Scikit-learn compatible library for molecular fingerprints and chemoinformatics

Python

#bioinformatics#chemical-data#chemical-toolbox#cheminformatics#chemistry#chemoinformatics#machine-learning#python#scikit-learn

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