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Top 2 coarse-grained-molecular-dynamics open source projects

The source of the votca-csg and xtp packages

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C++JetBrains MPS Objective-C++shell CMake python molecular-dynamics coarse-grained-molecular-dynamics gromacs multiscale-simulation coarse-graining votca gw-bse excited-states charge-transport

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

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Jupyter Notebook python machine-learning pytorch coarse-grained-molecular-dynamics protein-folding

1-2 of 2 coarse-grained-molecular-dynamics projects