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torchmd / torchmd-net

Training neural network potentials
MIT License
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Implement CLI #127

Closed raimis closed 2 years ago

raimis commented 2 years ago
raimis commented 2 years ago

@stefdoerr could you review?

giadefa commented 2 years ago

tmd-train is not so clear. Can you change to something more obvious, either just train or torchmd-train?