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Commits on Jan 17, 2023

• Results reproduced

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Commits on Apr 5, 2022

• Update last name outside readme

  gasteigerjo

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• Update last name

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Commits on Mar 31, 2022

• Add links to other implementations

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Commits on Nov 15, 2021

• Update README.md

  

  Johannes Klicpera

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Commits on Mar 4, 2021

• Update README.md

  gasteigerjo

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• Update README.md

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• Add more issues

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Commits on Jan 11, 2021

• Update README.md

  gasteigerjo

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• Add list of known bugs.

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Commits on Jan 9, 2021

• Correctly set extensivity in predict.ipynb

  gasteigerjo

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Commits on Dec 2, 2020

• Update README.md

  gasteigerjo

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• Update README.md

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Commits on Oct 7, 2020

• Fix log divide by zero via metric keys method

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Commits on Oct 4, 2020

• Convert separate metric results to scalars

  gasteigerjo

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Commits on Sep 9, 2020

• Convert metrics inside class

  gasteigerjo

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• Fix train_seml result_dict

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Commits on Sep 8, 2020

• Extensivity option for DimeNet++

  gasteigerjo

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• Fix SEML return types

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Commits on Aug 21, 2020

• Update README.md

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• DimeNet++ results

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• Pretrained DimeNet++

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Commits on Aug 20, 2020

• Remove commented-out training code

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• Unsuccessfully parallelize data pipeline

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Commits on Aug 19, 2020

• Increase DimeNet++ int_emb_size

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Commits on Aug 6, 2020

• Fix DimeNet+b num_blocks

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• Fix DimeNet++ R2

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Commits on Aug 5, 2020

• Add output_init hyperparameter

  gasteigerjo

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• Remove duplicate training code

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• DimeNet++ implementation

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Commits on Jul 7, 2020

• Comment for R2 = Rk - Rj.

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Commits on May 28, 2020

• Update README.md

  

  Johannes Klicpera

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Commits on May 3, 2020

• Rename LICENSE to LICENSE.md

  

  Johannes Klicpera

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• Move to Hippocratic license v2.1

  

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Commits on May 2, 2020

• Update README.md

  

  Johannes Klicpera

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