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Commits on Dec 9, 2024

• Merge pull request #494 from puririshi98/patch-5

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  weihua916

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Commits on Dec 7, 2024

• fix for torch.load weights_only new failure in latest pytorch

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  puririshi98

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Commits on Feb 1, 2024

• Merge pull request #473 from LukeLIN-web/dependency

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  weihua916

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  f631af7

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• Merge pull request #451 from Kh4L/pcqm4m_multigpu

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  weihua916

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Commits on Jan 31, 2024

• Multi-GPU in the pcqm4m-v2 example

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  Kh4L

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Commits on Jan 23, 2024

• solve solve import PygNodePropPredDataset hang the program

  LukeLIN-web

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Commits on Dec 2, 2023

• add to_pyg_hetero_data to MAG240mDataset (#465)

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  puririshi98

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  rusty1s

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Commits on Jun 10, 2023

• Remove torch_scatter dependecy (#450)

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  Kh4L

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Commits on Jun 2, 2023

• Merge pull request #447 from Kh4L/mol_encoder_feat_dims_fix

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  weihua916

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Commits on May 31, 2023

• Fix AtomEncoder and BondEncoder

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  Kh4L

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Commits on May 25, 2023

• Merge pull request #445 from v-shaoningli/add_removeHs

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  weihua916

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  83072bd

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• Change the reorder_atoms as an option

  v-shaoningli

  authored
  e688154

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• Change the function name by CanonicalRankAtoms consistant with rdkit

  v-shaoningli

  authored
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• Update mol.py with returned order

  v-shaoningli

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Commits on May 24, 2023

• add reoder atom

  

  v-shaoningli

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Commits on May 23, 2023

• Merge pull request #444 from v-shaoningli/add_removeHs

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  weihua916

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Commits on May 22, 2023

• add removeHs in mols.py

  

  v-shaoningli

  committed
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Commits on Apr 23, 2023

• remove dropout adj, use dropout edge (#438)

  LukeLIN-web

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Commits on Apr 14, 2023

• Merge pull request #431 from asarigun/master

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  weihua916

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  bd1cfa2

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• update

  asarigun

  committed
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• Merge pull request #421 from puririshi98/patch-2

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• Merge pull request #430 from LucaCappelletti94/tqdm_auto

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  weihua916

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• update

  asarigun

  committed
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Commits on Apr 13, 2023

• Update gnn.py

  puririshi98

  authored
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Commits on Apr 12, 2023

• Update rgnn.py

  puririshi98

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• Update gnn.py

  puririshi98

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Commits on Apr 11, 2023

• Updating AtomEncoder to improve input consistency

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  asarigun

  committed
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• Update gnn.py

  puririshi98

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• Update gnn.py

  puririshi98

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• Added tqdm.auto so to have a nice looking bar on jupyter notebooks

  LucaCappelletti94

  committed
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Commits on Apr 7, 2023

• version update

  weihua916

  committed
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Commits on Apr 5, 2023

• Update gnn.py

  puririshi98

  authored
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• Update gnn.py

  puririshi98

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Commits on Apr 4, 2023

• Update gnn.py

  puririshi98

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  c18ce8d

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• Update rgnn.py

  puririshi98

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