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MDIL-SNU / SevenNet

SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.
https://pubs.acs.org/doi/10.1021/acs.jctc.4c00190
GNU General Public License v3.0
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chore: update dependencies (PyG >= 2.5.0) #110

Closed YutackPark closed 1 month ago

YutackPark commented 1 month ago

force_reload key for InMemoryDataset of PyG appease after that version