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Commits on Oct 3, 2023

• Mention faulty RBF in embedding block

  gasteigerjo

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  66a8168

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Commits on Aug 1, 2023

• Add dataset warning

  gasteigerjo

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  6278cb0

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• Highlight off-by-one bug in dataset filtering

  gasteigerjo

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  3b00d97

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Commits on Apr 26, 2023

• Update paper link

  gasteigerjo

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  dcd64f4

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Commits on Apr 5, 2022

• Update last name outside readme

  gasteigerjo

  authored
  09123a0

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• Update last name

  gasteigerjo

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  92d6af9

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Commits on Mar 31, 2022

• Add links to other implementations

  gasteigerjo

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  d9f5fe8

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Commits on Nov 15, 2021

• Update README.md

  

  Johannes Klicpera

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  cd9074a

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Commits on Mar 4, 2021

• Update README.md

  gasteigerjo

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  fd36d38

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• Update README.md

  gasteigerjo

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  75f2b98

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• Add more issues

  gasteigerjo

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  0c6872a

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Commits on Jan 11, 2021

• Update README.md

  gasteigerjo

  authored
  73b2ee9

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• Add list of known bugs.

  gasteigerjo

  authored
  2339f8e

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Commits on Jan 9, 2021

• Correctly set extensivity in predict.ipynb

  gasteigerjo

  authored
  60205e7

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Commits on Dec 2, 2020

• Update README.md

  gasteigerjo

  authored
  d95da1e

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• Update README.md

  gasteigerjo

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  c4f405b

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Commits on Oct 7, 2020

• Fix log divide by zero via metric keys method

  gasteigerjo

  committed
  b839ad9

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Commits on Oct 4, 2020

• Convert separate metric results to scalars

  gasteigerjo

  committed
  5d8a1b7

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Commits on Sep 9, 2020

• Convert metrics inside class

  gasteigerjo

  committed
  19a3fe8

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• Fix train_seml result_dict

  gasteigerjo

  committed
  5ca3b60

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Commits on Sep 8, 2020

• Extensivity option for DimeNet++

  gasteigerjo

  committed
  de263b0

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• Fix SEML return types

  gasteigerjo

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  968fdf0

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Commits on Aug 21, 2020

• Update README.md

  gasteigerjo

  authored
  8be2970

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• DimeNet++ results

  gasteigerjo

  committed
  e502bb7

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• Pretrained DimeNet++

  gasteigerjo

  committed
  7e2a4a6

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Commits on Aug 20, 2020

• Remove commented-out training code

  gasteigerjo

  committed
  a099999

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• Unsuccessfully parallelize data pipeline

  gasteigerjo

  committed
  0f2e63c

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Commits on Aug 19, 2020

• Increase DimeNet++ int_emb_size

  gasteigerjo

  committed
  05e52f3

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Commits on Aug 6, 2020

• Fix DimeNet+b num_blocks

  gasteigerjo

  committed
  2ce290d

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• Fix DimeNet++ R2

  gasteigerjo

  committed
  3f2a03e

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Commits on Aug 5, 2020

• Add output_init hyperparameter

  gasteigerjo

  committed
  ec5e5ab

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• Remove duplicate training code

  gasteigerjo

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  d88af77

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• DimeNet++ implementation

  gasteigerjo

  committed
  a5fcfc3

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Commits on Jul 7, 2020

• Comment for R2 = Rk - Rj.

  gasteigerjo

  authored
  e5d2815

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Commits on May 28, 2020

• Update README.md

  

  Johannes Klicpera

  authored
  bf725c3

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