PyPI page
Author:
Florian Huber
Summary:
Library for computing molecular fingerprint based similarities as well as dimensionality reduction based chemical space visualizations.
Latest version:
0.3.8
Required dependencies:
joblib
|
matplotlib
|
numba
|
numpy
|
pandas
|
pooch
|
rdkit
|
scikit-fingerprints
|
scipy
|
tqdm
Optional dependencies:
cuml-cu12
|
cuml-cu13
|
cupy-cuda12x
|
cupy-cuda13x
|
pynndescent
|
umap-learn
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