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

语言：Python · GitHub 星标：49 · Fork：13

话题：bonded-parameters · bonded-terms · cg-model · coarse-grained · coarse-graining · gromacs · molecular-dynamics · molecular-modeling

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