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deepmodeling
deepmd-kit deepmodeling
515
1.5k
lgpl-3.0
47
A deep learning package for many-body potential energy representation and molecular dynamics
c ase cpp ipi jax cuda rocm deepmd lammps nodejs python pytorch tensorflow deep-learning potential-energy materials-science molecular-dynamics computational-chemistry
Created 2017-12-12
2,543 commits to r2 branch, last one 2 days ago