mordred

molecular descriptor calculator

Installation

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

pip3 install mordred

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Files
1.2.0 2019-06-05  
1.1.2 2018-10-24  
1.0.0 2018-02-08  
0.6.1 2018-01-20  
0.6.0 2017-09-08  
0.5.0 2017-09-02  
0.4.1 2017-08-16  
0.3.1 2017-03-05  

Issues with this package?

Page last updated 2025-07-18 04:39:12 UTC