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torchmd / torchmd-net Public

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Add SPICE 2.0.1, Fix bug in MemmappedDataset#333

Merged

stefdoerr merged 7 commits intotorchmd:maintorchmd/torchmd-net:mainfrom RaulPPelaez:sp2RaulPPelaez/torchmd-net:sp2Copy head branch name to clipboard

Jun 28, 2024

+27-7

Conversation Commits7 (7)Checks Files changed

Commits

Commits on Jun 28, 2024

Add SPICE 2.0.1
RaulPPelaez
committed
Place raw spice data in a subfolder
RaulPPelaez
committed
Add check for bogus conformations
RaulPPelaez
committed
Fix processed name in MemmappedDataset
RaulPPelaez
committed
Add hash checking of downloaded files in SPICE
RaulPPelaez
committed
Fix typo in ACE dataset test
RaulPPelaez
committed
Update to Ace dataset test
RaulPPelaez
committed

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