piwheels

molecular-rectifier

Given an RDKit molecule that does not sanitise, correct it until it does, regardless of the severity of the change.

Installation

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

pip3 install molecular-rectifier

Dependencies

• rdkit

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
1.0.1	2024-04-05
molecular_rectifier-1.0.1-py3-none-any.whl (19 KB)
1.0.0	2024-02-21
molecular_rectifier-1.0.0-py3-none-any.whl (18 KB)
0.1.10.2	2023-01-25
molecular_rectifier-0.1.10.2-py3-none-any.whl (18 KB)
0.1.10.1	2023-01-17
molecular_rectifier-0.1.10.1-py3-none-any.whl (18 KB)
0.1.10	2023-01-17
molecular_rectifier-0.1.10-py3-none-any.whl (18 KB)
0.1.9	2023-01-09
molecular_rectifier-0.1.9-py3-none-any.whl (18 KB)
0.1.8	2022-08-03
molecular_rectifier-0.1.8-py3-none-any.whl (18 KB)
0.1.7	2022-06-10
molecular_rectifier-0.1.7-py3-none-any.whl (17 KB)
0.1.6	2022-05-10
molecular_rectifier-0.1.6-py3-none-any.whl (17 KB)
0.1.5	2022-05-09
molecular_rectifier-0.1.5-py3-none-any.whl (16 KB)
0.1.4	2022-04-26
molecular_rectifier-0.1.4-py3-none-any.whl (16 KB)
0.1.3	2022-04-22
molecular_rectifier-0.1.3-py3-none-any.whl (14 KB)
0.1.2	2021-12-17
molecular_rectifier-0.1.2-py3-none-any.whl (12 KB)
0.1.1	2021-02-18
0.1	2021-02-11

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