PyPI page
Author:
Jakub Adamczyk, AGH ML & Chemoinformatics Group
Summary:
Library for effective molecular fingerprints calculation
Latest version:
2.1.0
Required dependencies:
descriptastorus
|
e3fp
|
huggingface-hub
|
joblib
|
mordredcommunity
|
numpy
|
pandas
|
rdkit
|
scikit-learn
|
scipy
|
tqdm
Optional dependencies:
torch
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