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Commits on Apr 26, 2023

• Update README.md

  gasteigerjo

  committedApr 26, 2023
  a0164f7

• Update README.md

  gasteigerjo

  committedApr 26, 2023
  b04a62f

Commits on Nov 9, 2022

• Update README.md

  gasteigerjo

  committedNov 9, 2022
  8833693

Commits on May 30, 2022

• Fix requirements

  gasteigerjo

  committedMay 30, 2022
  0110dce

Commits on May 11, 2022

• fix package install

  n-gao

  committedMay 11, 2022
  1922774

Commits on Apr 5, 2022

• Update name outside readme

  gasteigerjo

  committedApr 5, 2022
  1c00b2d

• Fix footnote

  gasteigerjo

  committedApr 5, 2022
  ac7ca4b

• Add new paper, update name

  gasteigerjo

  committedApr 5, 2022
  7ef6a31

Commits on Mar 24, 2022

• Update README.md

  gowithdaflo

  committedMar 24, 2022
  ba2ddda

• Update README.md

  gowithdaflo

  committedMar 24, 2022
  fbc578f

• add pretrained modesls

  gowithdaflo

  committedMar 24, 2022
  b620da4

Commits on Mar 16, 2022

• langevin friction as additional argument

  gowithdaflo

  committedMar 16, 2022
  dc5a2ff

Commits on Mar 15, 2022

• Add ase_calculator with example notebook

  gowithdaflo

  committedMar 15, 2022
  51ad16a

Commits on Jan 28, 2022

• Merge branch 'master' of https://github.com/TUM-DAML/gemnet_pytorch

  gowithdaflo

  committedJan 28, 2022
  967dcfc

• update to cuda 11

  gowithdaflo

  committedJan 28, 2022
  72ff573

Commits on Jan 27, 2022

• Update trainer.py loss function

  gowithdaflo

  committedJan 27, 2022
  88df75e

• Update trainer.py

  gowithdaflo

  committedJan 27, 2022
  4d88ba7

Commits on Jan 22, 2022

• add option to pass dataset split manually

  gowithdaflo

  committedJan 22, 2022
  bcf42e4

Commits on Jan 16, 2022

• Fix DataLoader indexing issue (#5)

  

  Johannes Klicpera

  and

  gowithdaflo

  committedJan 16, 2022
  871e3dd

Commits on Dec 16, 2021

• Merge branch 'master' of https://github.com/TUM-DAML/gemnet_pytorch

  gowithdaflo

  committedDec 16, 2021
  252201b

• clean up

  gowithdaflo

  committedDec 16, 2021
  51c7d9e

• fix slice bug

  gowithdaflo

  committedDec 16, 2021
  4f05c1e

Commits on Nov 29, 2021

• clean up

  

  Flo Becker

  committedNov 29, 2021
  0a6096c

• fix dimension error

  

  Flo Becker

  committedNov 29, 2021
  ef2dd05

• Remove leftover mixed_precision flag

  

  Johannes Klicpera

  committedNov 29, 2021
  d4a4090

Commits on Nov 26, 2021

• Add COLL dataset, use relative paths

  gasteigerjo

  committedNov 26, 2021
  7b55f78

• Fix Kmax

  

  Johannes Klicpera

  committedNov 26, 2021
  96300af

Commits on Nov 3, 2021

• Merge branch 'master' of https://github.com/TUM-DAML/gemnet_pytorch

  

  Flo Becker

  committedNov 3, 2021
  82072b0

• fix missing imports

  

  Flo Becker

  committedNov 3, 2021
  bdcc29b

Commits on Oct 24, 2021

• Update README.md

  

  Johannes Klicpera

  committedOct 24, 2021
  1682ccf

• Update README.md

  

  Johannes Klicpera

  committedOct 24, 2021
  42d30d6

• Update README.md

  

  Johannes Klicpera

  committedOct 24, 2021
  5db9044

• Update README.md

  

  Johannes Klicpera

  committedOct 24, 2021
  c45ca8d

• Update LICENSE

  

  Johannes Klicpera

  committedOct 24, 2021
  66e94ee

Commits on Oct 14, 2021

• fix requirements mixup

  

  Flo Becker

  committedOct 14, 2021
  c07cc38

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