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example_MD_with_MLP
example_MD_with_MLP PublicSimple example of creating, training, and running a machine learning potential for molecular dynamics
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lammps
lammps PublicForked from lammps/lammps
Public development project of the LAMMPS MD software package
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openmm-torch
openmm-torch PublicForked from openmm/openmm-torch
OpenMM plugin to define forces with neural networks
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openmm-cookbook
openmm-cookbook PublicForked from openmm/openmm-cookbook
Proof-of-concept for the OpenMM Cookbook
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