datamol

A python library to work with molecules. Built on top of RDKit.

Installation

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

pip3 install datamol

Dependencies

PyPI page
pypi.org/project/datamol
Project JSON
piwheels.org/project/datamol/json
Versions
84
Files
84
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Downloads (last 30 days)
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Releases

Version Released Bookworm
Python 3.11		 Trixie
Python 3.13		 Files
0.13.0 2026-09-09    
0.12.5 2024-06-10    
0.12.4 2024-02-05    
0.12.3 2024-01-19    
0.12.2 2023-12-09    
0.12.1 2023-11-20    
0.12.0 2023-10-28    
0.11.5 2023-10-22    
0.11.4 2023-09-18    
0.11.3 2023-09-04
0.11.2 2023-07-27
0.11.1 2023-06-22
0.11.0 2023-06-18
0.10.3 2023-05-01
0.10.2 2023-05-01
0.10.1 2023-05-01
0.10.0 2023-04-18
0.9.8 2023-04-14
0.9.7 2023-04-14
0.9.6 2023-04-14
0.9.4 2023-04-14
0.9.3 2023-04-13
0.9.2 2023-03-31
0.9.1 2023-03-24
0.9.0 2023-02-13
0.8.8 2022-12-15
0.8.7 2022-11-29
0.8.6 2022-11-28
0.8.5 2022-11-28
0.8.4 2022-11-11
0.8.3 2022-11-05
0.8.2 2022-10-31
0.8.1 2022-10-28
0.7.18 2022-10-18
0.7.17 2022-10-14
0.7.16 2022-10-12
0.7.15 2022-10-11
0.7.14 2022-10-03
0.7.13 2022-09-09
0.7.12 2022-09-06
0.7.11 2022-09-04
0.7.10 2022-07-18
0.7.9 2022-06-17
0.7.8 2022-06-03
0.7.7 2022-05-30
0.7.6 2022-05-20
0.7.5 2022-05-19
0.7.4 2022-05-13
0.7.3 2022-04-12
0.7.2 2022-03-22
0.7.1 2022-03-18
0.7.0 2022-03-11
0.6.9 2022-03-02
0.6.8 2022-02-27
0.6.7 2022-02-24
0.6.6 2022-02-17
0.6.5 2022-02-16
0.6.4 2022-02-11
0.6.3 2022-01-27
0.6.2 2022-01-26
0.6.1 2022-01-25
0.6.0 2021-12-17
0.5.0 2021-11-07
0.4.11 2021-10-07
0.4.10 2021-09-23
0.4.9 2021-09-22
0.4.8 2021-09-15
0.4.7 2021-09-12
0.4.6 2021-09-08
0.4.5 2021-09-01
0.4.4 2021-08-31
0.4.3 2021-07-24
0.4.2 2021-07-14
0.4.1 2021-07-14
0.4.0 2021-07-14
0.3.9 2021-06-10
0.3.8 2021-05-20
0.3.7 2021-04-17
0.3.6 2021-04-16
0.3.5 2021-04-15
0.3.4 2021-04-14
0.3.3 2021-04-12
0.3.2 2021-04-11
0.3.1 2021-04-07

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Page last updated 2026-09-09 15:24:35 UTC