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Commits on Jun 6, 2023

• cleanup pass 9

  hadim

  committed
  f717b3b

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• cleanup pass 7

  hadim

  committed
  db1ca24

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• rename to graphium + format

  hadim

  committed
  3077660

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Commits on May 25, 2023

• First draft for the padding functionality in collate

  luis-mueller

  committed
  4cb4693

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Commits on May 23, 2023

• moved keys to Data object, changed respective tests

  engmubarak48

  committed
  5dc651e

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Commits on May 20, 2023

• Proper nan handling in extract labels and a few fixes

  luis-mueller

  committed
  bc148df

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• Finished base implementation, hydrogen extraction notebook, unittests

  luis-mueller

  committed
  96fa81f

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Commits on May 11, 2023

• Added tests for the multi parquet files

  DomInvivo

  committed
  45d2df5

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Commits on May 8, 2023

• fix lint

  KiddoZhu

  committed
  aaf6383

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• support wildcard in datamodule & test passed

  KiddoZhu

  committed
  d2e939f

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Commits on Apr 18, 2023

• removed the postions_3d from the testing of the datamodule

  DomInvivo

  committed
  0e7a523

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Commits on Mar 26, 2023

• black linting

  DomInvivo

  committed
  bca8c79

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• Added unit-test for the output of the MultitaskDataset, and fixed the datamodule

  DomInvivo

  committed
  8440d74

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Commits on Mar 24, 2023

• Added option for saving mols and ids, and re-instated the testing about the molecular ids.

  DomInvivo

  committed
  2994e54

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Commits on Mar 17, 2023

• Fixed unit-tests

  DomInvivo

  committed
  740776f

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Commits on Feb 9, 2023

• fixed unit test error on datamodule by adding in conformer arguments

  

  Andy Huang

  committed
  9bae0f2

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Commits on Feb 7, 2023

• try to revert black changes

  

  zhiyil-graphcore

  committed
  7c9a071

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• ipu compiles ok

  

  zhiyil-graphcore

  committed
  56ca552

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Commits on Jan 25, 2023

• ran unit test and black

  shenyangHuang

  committed
  1bda9f3

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Commits on Nov 22, 2022

• tested the datacache

  DomInvivo

  committed
  85773f4

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Commits on Oct 4, 2022

• Fixed ogb datamodule tests

  DomInvivo

  committed
  36f9130

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Commits on Sep 29, 2022

• Renamed batch_size_train_val and batch_size_test to be more consistent

  DomInvivo

  committed
  888ace4

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• Refactored the IPU datamodule. Fixed the OGB datamodule

  DomInvivo

  committed
  671133d

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Commits on Sep 20, 2022

• Removed the test that failed, and waiting for it being solved

  DomInvivo

  committed
  ee45b5d

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Commits on Sep 8, 2022

• Applied black linting

  DomInvivo

  committed
  50fd786

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Commits on Sep 2, 2022

• One more cleanup of the datamodule. Added NotImplementedError when using GraphOGBDataModule

  DomInvivo

  committed
  9ff1098

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Commits on Jul 22, 2022

• Refactor datamodule before merging pyg-branch into master

  DomInvivo

  committed
  45cec20

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Commits on Feb 23, 2022

• Added more filtering tests for single column arrays/tensors and pd.Series support

  DomInvivo

  committed
  e54911b

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• Added more filtering tests for single column arrays/tensors and pd.Series support

  DomInvivo

  committed
  931a05f

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• Added dict support for the _filter_none_molecules

  DomInvivo

  committed
  1e60e2b

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• Added unittest for the none molecule filtering

  DomInvivo

  committed
  d30c733

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Commits on Oct 15, 2021

• Fixed unit tests

  DomInvivo

  committed
  480e611

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Commits on Jul 16, 2021

• remove ogb metadata tests

  hadim

  committed
  afd2225

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Commits on Apr 30, 2021

• test for cache invalidation

  hadim

  committed
  2228306

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Commits on Apr 15, 2021

• add test for ogb datamodule

  hadim

  committed
  a9a8029

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