SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
GNU General Public License v3.0
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Update docs, standardize module nicknames, OOP loss functions, refactoring #38
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YutackPark closed 7 months ago
Old SevenNet-0 model has issue in its cutoff function. Wa deprecate them and archive in the github for reference.
and docs update