Results
5
repositories owned by
TorchMD
torchmd
515
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73
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End-To-End Molecular Dynamics (MD) Engine using PyTorch
mdgrad
163
Stars
16
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Pytorch differentiable molecular dynamics
torchmd-net
283
Stars
67
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Neural network potentials
torchmd-cg
39
Stars
10
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Example to fit parameters and run CG simulations using TorchMD and Schnet
torchmd-protein-thermodynamics
61
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9
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Tutorials and data necessary to reproduce the results of publication Machine Learning Coarse-Grained Potentials of Protein Thermodynamics