A collection of tools for processing raw simulation data for use in training a transferable coarse grained (CG) forcefield, using the MLCG library.
Extensive instructions on how to use the different tools are provided in the examples folder.
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Tools to prepare data for use in training a transferable coarse grained (CG) forcefield using the MLCG package
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ClementiGroup/mlcg-tk
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Tools to prepare data for use in training a transferable coarse grained (CG) forcefield using the MLCG package
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