LiuGaoyong/PyGFNFF

Python wrapper for GFN-FF based on F2PY. https://pypi.org/project/pygfnff

语言：Fortran · GitHub 星标：2 · Fork：1

话题：ase · atomic-simulation-environment · chemistry · gfn-ff · molecule · python · single-point-energy · xtb

在 GitHub 上查看原仓库