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cg-mapping
cg-mapping PublicImplementation of methods to compute the optimal mapping strategies
Python 6
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torchmd-net
torchmd-net PublicForked from torchmd/torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers
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Tools to prepare data for use in training a transferable coarse grained (CG) forcefield using the MLCG package
ClementiGroup/mlcg-tk’s past year of commit activity - proteka Public
ClementiGroup/proteka’s past year of commit activity - pyODEM Public
Python implementation for the Observable-driven Design of Effective molecular Models (ODEM).
ClementiGroup/pyODEM’s past year of commit activity - torchmd-net Public Forked from torchmd/torchmd-net
Neural network potentials based on graph neural networks and equivariant transformers
ClementiGroup/torchmd-net’s past year of commit activity - CGmanybody Public
ClementiGroup/CGmanybody’s past year of commit activity
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