2 results found Sort:

openmopac
mopac openmopac
32
119
lgpl-3.0
5
Molecular Orbital PACkage
quantum-chemistry electronic-structure semiempirical-methods molecular-orbital-theory
Created 2019-03-25
873 commits to main branch, last one 17 days ago
Eipgen
Neural-Network-Models-for-Chemistry Eipgen
10
78
unknown
3
A collection of Nerual Network Models for chemistry
dft qm-mm charge models chemistry deep-learning neural-networks semiempirical-methods computational-chemistry machine-learning-molecular-force-field machine-learning-density-functional-theory
Created 2022-05-23
216 commits to main branch, last one 8 days ago