/tools/Swarm-CG

Swarm-CG

GMPavanLab/Swarm-CG

46 stars12 forksPythonWebsiteAdded February 8, 2026
summary

Swarm-CG automates the optimization of bonded terms in MARTINI-based coarse-grained molecular models by using a reference all-atom trajectory. It includes modules for evaluating parametrization, optimizing parameters, and monitoring the optimization process, making it a valuable tool for molecular modeling and simulations.

description

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

topics

coarse-grainingcoarse-grainedmolecular-dynamicsmolecular-modelinggromacsoptimizationoptimization-toolsbonded-termsbonded-parametersswarm-cgcg-model

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