Info: This package contains files in non-standard
labels.
noarch
v2.1.1
conda install
To install this package run one of the following: conda install conda-forge::qubekitconda install conda-forge/label/cf202003::qubekit
Description
QUBEKit is a Python based force field parameter derivation toolkit. Our aims are to allow users to quickly derive molecular mechanics parameters directly from quantum mechanical calculations.