piwheels

CDK-pywrapper

Python wrapper for CDK molecular descriptors and fingerprints

Installation

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

pip3 install cdk-pywrapper

Dependencies

• filelock
• numpy
• install-jdk
• pandas
• more-itertools
• rdkit

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
1.0.0	2026-07-16
cdk_pywrapper-1.0.0-py3-none-any.whl (41 MB)
0.1.1	2025-04-09
cdk_pywrapper-0.1.1-py3-none-any.whl (41 MB)
0.1.0	2024-01-15
CDK_pywrapper-0.1.0-py3-none-any.whl (41 MB)
0.0.5	2023-08-08
CDK_pywrapper-0.0.5-py3-none-any.whl (41 MB)
0.0.4	2023-08-04
CDK_pywrapper-0.0.4-py3-none-any.whl (41 MB)
0.0.3	2023-07-15
CDK_pywrapper-0.0.3-py3-none-any.whl (41 MB)
0.0.2.post1	2023-07-14
CDK_pywrapper-0.0.2.post1-py3-none-any.whl (41 MB)
0.0.2	2023-07-14
CDK_pywrapper-0.0.2-py3-none-any.whl (41 MB)
0.0.1.post1	2023-07-04
CDK_pywrapper-0.0.1.post1-py3-none-any.whl (41 MB)
0.0.1	2023-07-02
CDK_pywrapper-0.0.1-py3-none-any.whl (41 MB)

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