piwheels

scikit-fingerprints

Library for effective molecular fingerprints calculation

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install scikit-fingerprints

Dependencies

• numpy
• scipy
• tqdm
• mordredcommunity
• pandas
• e3fp
• joblib
• descriptastorus
• rdkit
• scikit-learn
• huggingface-hub

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
2.0.0	2026-03-30
scikit_fingerprints-2.0.0-py3-none-any.whl (478 KB)
1.18.0	2025-12-06
scikit_fingerprints-1.18.0-py3-none-any.whl (471 KB)
1.17.0	2025-08-31
scikit_fingerprints-1.17.0-py3-none-any.whl (457 KB)
1.16.0	2025-05-31
scikit_fingerprints-1.16.0-py3-none-any.whl (382 KB)
1.15.0	2025-03-12
scikit_fingerprints-1.15.0-py3-none-any.whl (349 KB)
1.14.0	2025-03-03
scikit_fingerprints-1.14.0-py3-none-any.whl (337 KB)
1.13.1	2025-02-01
scikit_fingerprints-1.13.1-py3-none-any.whl (316 KB)
1.13.0	2025-01-31
scikit_fingerprints-1.13.0-py3-none-any.whl (316 KB)
1.12.0	2024-12-03
1.11.0	2024-11-04
1.10.1	2024-10-28
1.10.0	2024-10-28
1.9.0	2024-10-05
1.8.0	2024-09-10
1.7.0	2024-08-14
1.6.1	2024-07-16
scikit_fingerprints-1.6.1-py3-none-any.whl (135 KB)
1.5.0	2024-06-02
scikit_fingerprints-1.5.0-py3-none-any.whl (104 KB)
1.4.1	2024-05-09
scikit_fingerprints-1.4.1-py3-none-any.whl (94 KB)
1.4.0	2024-05-04
scikit_fingerprints-1.4.0-py3-none-any.whl (92 KB)
1.2.0	2024-03-26
scikit_fingerprints-1.2.0-py3-none-any.whl (29 KB)
1.1.2	2024-01-03
scikit_fingerprints-1.1.2-py3-none-any.whl (15 KB)
1.1.0	2023-12-30
scikit_fingerprints-1.1.0-py3-none-any.whl (15 KB)
1.0.0	2023-12-08
scikit_fingerprints-1.0.0-py3-none-any.whl (14 KB)

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