GMPavanLab / Swarm-CG

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
https://pubs.acs.org/doi/10.1021/acsomega.0c05469
MIT License
42 stars 10 forks source link

Add docstring to remaining bits and clean up formatting #37

Closed giovannidoni closed 3 years ago

giovannidoni commented 3 years ago

Looks like I have changed lots but I just run a auto code cleanup from pycharm