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Commits on Sep 19, 2022

• v0.2.0

  KiddoZhu

  committed
  b834f40

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• add papers implemented

  KiddoZhu

  committed
  09ffe18

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Commits on Sep 18, 2022

• update doc

  KiddoZhu

  committed
  186aef2

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• clean up

  KiddoZhu

  committed
  cd45518

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Commits on Sep 16, 2022

• add protein transforms

  Oxer11

  committed
  cf1a62c

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• add protein tasks

  Oxer11

  committed
  921f3f3

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• add protein models

  Oxer11

  committed
  786d238

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• add protein datasets

  Oxer11

  committed
  2be5c85

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• add the dataset class and data structure for proteins

  Oxer11

  committed
  462fd86

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Commits on Aug 14, 2022

• fix feature padding in GCPN

  KiddoZhu

  committed
  9fac912

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• fix feature padding in G2Gs

  KiddoZhu

  committed
  342c87e

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• fix a typo in data.Graph.split()

  Oxer11

  committed
  5e07dd3

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• update signature & docs for deprecated_alias

  KiddoZhu

  committed
  a1df0a2

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Commits on Aug 13, 2022

• add setter functions for molecule features

  KiddoZhu

  committed
  d282313

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Commits on Jul 27, 2022

• Add opencontainers image-spec to Dockerfile

  

  SauravMaheshkar

  authored and

  KiddoZhu

  committed
  dbf6f4e

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• fix utils.cached

  KiddoZhu

  committed
  518a699

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Commits on Jun 4, 2022

• release v0.1.3

  KiddoZhu

  committed
  e73d2c9

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• add some documentation

  KiddoZhu

  committed
  ce75ce4

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• small change to neurallp

  KiddoZhu

  committed
  957cec7

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• add metrics

  KiddoZhu

  committed
  5f9ce1c

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Commits on Jun 3, 2022

• add variadic functions & fix rspmm small bug

  KiddoZhu

  committed
  4b4b30a

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• small documentation modification

  KiddoZhu

  committed
  36832c6

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• add smart_open

  KiddoZhu

  committed
  cd2d10f

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• add node/edge/graph reference & change node/edge to atom/bond

  KiddoZhu

  committed
  f8d2de6

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Commits on May 17, 2022

• add wandb demo

  shichence

  authored
  20f8417

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Commits on Apr 29, 2022

• fix: RuntimeError in GraphIsomorphismNetwork DeepGraphLearning#92 (DeepGraphLearning#93)

  kanojikajino

  authored
  f5d9689

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Commits on Apr 23, 2022

• fix: RuntimeError if batch has only invalid mols (DeepGraphLearning#84)

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  jannisborn

  and

  KiddoZhu

  authored
  26f15f6

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Commits on Apr 3, 2022

• make register_buffer consistent with PyTorch 1.6.0+

  KiddoZhu

  committed
  b411837

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• fix patch for torch.utils.data.Dataset

  KiddoZhu

  committed
  f29dc55

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Commits on Mar 28, 2022

• add silent option in core.Meter.log()

  Oxer11

  committed
  119002a

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Commits on Mar 20, 2022

• add documentation for W&B logger (DeepGraphLearning#74)

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  manangoel99

  and

  KiddoZhu

  committed
  1cfb186

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Commits on Feb 20, 2022

• update citation

  KiddoZhu

  committed
  eeee191

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Commits on Feb 18, 2022

• integrate wandb logger (DeepGraphLearning#72)

  manangoel99

  authored
  29e18ee

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Commits on Feb 17, 2022

• Implement PackedGraph.to() (DeepGraphLearning#70)

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  cthoyt

  and

  KiddoZhu

  authored
  17477ca

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Commits on Jan 30, 2022

• extend SynthonCompletion for arbitrary node features

  KiddoZhu

  committed
  a93356e

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