mordred

molecular descriptor calculator

Installation

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

pip3 install mordred

Dependencies

Releases

Version Released Bookworm
Python 3.11
Trixie
Python 3.13
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 2026-09-03 13:37:27 UTC