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Commits on Apr 20, 2022

• update qm9 dataverse

  futianfan

  committedApr 20, 2022
  3026848

• 1st version of 3d dataloader in QM9

  futianfan

  committedApr 20, 2022
  3021d53

Commits on Apr 18, 2022

• Merge branch 'main' of github.com:mims-harvard/TDC into main

  futianfan

  committedApr 18, 2022
  571e203

• fixing a bug in one guacamol oracle

  futianfan

  committedApr 18, 2022
  d566b10

Commits on Apr 14, 2022

• fixed buchwald-hartwig

  kexinhuang12345

  committedApr 14, 2022
  77eb959

• qm9 3d feature

  futianfan

  committedApr 14, 2022
  403af47

Commits on Apr 13, 2022

• Merge branch 'main' of github.com:mims-harvard/TDC into main

  futianfan

  committedApr 13, 2022
  f665ac5

• support drd3_docking, equal to 3pbl_docking

  futianfan

  committedApr 13, 2022
  bcc4587

Commits on Apr 12, 2022

• add pyscreener meta_oracle

  wenhao-gao

  committedApr 12, 2022
  428f790

Commits on Mar 26, 2022

• remove repetitive labels in qm8

  kexinhuang12345

  committedMar 26, 2022
  456bf4d

Commits on Mar 9, 2022

• fix bugs in isomers_c11h24

  futianfan

  committedMar 9, 2022
  799a5ed

• fix bugs in isomers_c11h24

  futianfan

  committedMar 9, 2022
  9deafff

Commits on Feb 25, 2022

• oracle: add c11h24 & set default value for invalid smiles

  futianfan

  committedFeb 25, 2022
  3739a91

• oracle: add c11h24 & set default value for invalid smiles

  futianfan

  committedFeb 25, 2022
  93baa97

• oracle: add c11h24 & set default value for invalid smiles

  futianfan

  committedFeb 25, 2022
  abff3e3

Commits on Feb 23, 2022

• Merge branch 'main' of github.com:mims-harvard/TDC into main

  futianfan

  committedFeb 23, 2022
  6847d97

• bugs in qm8

  futianfan

  committedFeb 23, 2022
  3e29e09

Commits on Feb 20, 2022

• 0.3.6

  kexinhuang12345

  committedFeb 20, 2022
  f8349f6

Commits on Feb 5, 2022

• fix print_sys import bug

  kexinhuang12345

  committedFeb 5, 2022
  3ebda02

Commits on Jan 28, 2022

• fix deeppurpose drug encoder name bug

  kexinhuang12345

  committedJan 28, 2022
  6389284

• Merge pull request mims-harvard#141 from annaweber209/main

  kexinhuang12345

  committedJan 28, 2022
  6d443fc

Commits on Jan 26, 2022

• wip: remove target list as dataset is single label

  annaweber209

  committedJan 26, 2022
  6e93dd1

• wip: change names to match naming conventions

  annaweber209

  committedJan 26, 2022
  6f16772

• feat: added new TCR epitope interaction task.

  annaweber209

  committedJan 26, 2022
  5868e4c

• Update README with TDC User Group Meetup details

  marinkaz

  committedJan 26, 2022
  0432dea

Commits on Jan 25, 2022

• Update user group meeting notebook

  wenhao-gao

  committedJan 25, 2022
  8831092

• Update user group meeting notebook

  wenhao-gao

  committedJan 25, 2022
  540ad61

• Merge branch 'main' of github.com:mims-harvard/TDC into main

  futianfan

  committedJan 25, 2022
  0fb96ef

• tutorial user group meeting

  futianfan

  committedJan 25, 2022
  af6fbfb

Commits on Jan 24, 2022

• add toxcast

  kexinhuang12345

  committedJan 24, 2022
  33318eb

• 0.3.5

  kexinhuang12345

  committedJan 24, 2022
  24cc822

• add chembl v29

  kexinhuang12345

  committedJan 24, 2022
  a86a824

• add include_reaction_type parameter in the split

  kexinhuang12345

  committedJan 24, 2022
  e62c890

• Merge pull request mims-harvard#138 from ZOE-V/patch-1

  kexinhuang12345

  committedJan 24, 2022
  e3148d1

• tutorial update

  futianfan

  committedJan 24, 2022
  9ae11c5

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