/tools/torchmd-cg

torchmd-cg

torchmd/torchmd-cg

simulation tool molecular-dynamics protein

47 stars13 forksJupyter NotebookWebsiteAdded February 5, 2026

summary

The torchmd-cg repository provides examples for fitting parameters and running coarse-grained molecular dynamics simulations using TorchMD and Schnet. It is designed to facilitate the study of molecular behavior and properties through simulation techniques.

description

Example to fit parameters and run CG simulations using TorchMD and Schnet

topics

coarse-grained-molecular-dynamicsprotein-foldingpytorchmachine-learning

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