piwheels

chemap

Library for computing molecular fingerprint based similarities as well as dimensionality reduction based chemical space visualizations.

Installation

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

pip3 install chemap

Dependencies

• numba
• scikit-fingerprints
• tqdm
• matplotlib
• numpy
• pooch
• pandas
• scipy
• joblib
• rdkit

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
0.3.8	2026-09-09
chemap-0.3.8-py3-none-any.whl (69 KB)
0.3.7	2026-06-08
chemap-0.3.7-py3-none-any.whl (69 KB)
0.3.6	2026-04-12
chemap-0.3.6-py3-none-any.whl (69 KB)
0.3.5	2026-03-02
chemap-0.3.5-py3-none-any.whl (66 KB)
0.3.4	2026-02-26
chemap-0.3.4-py3-none-any.whl (66 KB)
0.3.3	2026-02-20
chemap-0.3.3-py3-none-any.whl (65 KB)
0.3.2	2026-02-17
chemap-0.3.2-py3-none-any.whl (62 KB)
0.3.1	2026-02-16
chemap-0.3.1-py3-none-any.whl (62 KB)
0.3.0	2026-02-13
chemap-0.3.0-py3-none-any.whl (53 KB)
0.2.1	2026-02-02
chemap-0.2.1-py3-none-any.whl (29 KB)
0.2.0	2026-01-24
chemap-0.2.0-py3-none-any.whl (29 KB)
0.1.0	2026-01-21
chemap-0.1.0-py3-none-any.whl (24 KB)

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