piwheels

chemfeat

Calculate feature vectors for molecules using cheminformatics libraries.

Installation

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

pip3 install chemfeat

Dependencies

• simple-file-lock
• padel-pywrapper
• pandas
• pyyaml
• rdkit
• docstring-parser

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
2024.1	2024-05-27
chemfeat-2024.1-py3-none-any.whl (28 KB)
2023.12	2023-10-19
chemfeat-2023.12-py3-none-any.whl (28 KB)
2023.11	2023-10-03
chemfeat-2023.11-py3-none-any.whl (27 KB)
2023.10	2023-10-02
chemfeat-2023.10-py3-none-any.whl (26 KB)
2023.9	2023-10-02
chemfeat-2023.9-py3-none-any.whl (26 KB)
2023.6	2023-09-30
chemfeat-2023.6-py3-none-any.whl (26 KB)
2023.5	2023-09-25
chemfeat-2023.5-py3-none-any.whl (25 KB)
2023.4	2023-09-22
chemfeat-2023.4-py3-none-any.whl (25 KB)
2023.1	2023-07-27
chemfeat-2023.1-py3-none-any.whl (22 KB)

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