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Commits on Jul 16, 2023

• v0.2.1

  KiddoZhu

  committed
  6066fbd

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• support customized edge feature in graph construction

  KiddoZhu

  committed
  17ab229

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• change chain id to accept lowercase and digits

  KiddoZhu

  committed
  91e9bd9

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• update md5s for alphafolddb and handle unknown residue types in esm

  KiddoZhu

  committed
  c8155f4

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Commits on Jul 15, 2023

• fix broken nvidia apt keys (DeepGraphLearning#207)

  cscandore

  authored
  5d21a5f

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• Apple Silicon installation instructions (DeepGraphLearning#176)

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  migalkin

  and

  KiddoZhu

  authored
  e3e659d

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• clean up

  KiddoZhu

  committed
  323ed65

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• fix multiview contrast & graph construction

  KiddoZhu

  committed
  8a07e53

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• make data.Graph compatible with load_state_dict() in PyTorch 1.11+

  KiddoZhu

  committed
  a56f2c5

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Commits on Apr 25, 2023

• Include ESM-2 models in esm.py

  Oxer11

  authored
  a959f68

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Commits on Apr 15, 2023

• Fix a bug in the call of layers.Set2Set in MPNN

  Oxer11

  authored
  ed17610

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Commits on Apr 12, 2023

• add full batch eval for knowledge graph completion

  KiddoZhu

  committed
  01f4eaf

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Commits on Apr 1, 2023

• compatibility with python3.10 and torch2.0

  KiddoZhu

  committed
  87c1d58

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• compact the log of config dict

  KiddoZhu

  committed
  60bf0af

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• deprecate _size_to_index() implementation

  KiddoZhu

  committed
  dec42a9

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• fix a bug in config_dict()

  

  Oxer11

  authored and

  KiddoZhu

  committed
  97858c6

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Commits on Feb 25, 2023

• add batch_norm & dropout in mlp of property prediction

  Oxer11

  committed
  115ca15

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Commits on Nov 22, 2022

• fix bugs in SubsequenceNode & GraphConstruction

  Oxer11

  committed
  4e76c30

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Commits on Nov 3, 2022

• fix a bug on reloading scheduler

  KiddoZhu

  committed
  4ea99a0

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• remove deprecated floor div for PyTorch >= 1.10

  KiddoZhu

  committed
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Commits on Oct 13, 2022

• handling case where all molecules are invalid in property optimization (DeepGraphLearning#125)

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  jannisborn

  and

  KiddoZhu

  authored
  28a677d

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• depend on matplotlib-base conda package (DeepGraphLearning#141)

  jamesmyatt

  authored
  cc2c1ca

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• fix num_class in property prediction

  KiddoZhu

  committed
  597f43b

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• avoid in-place RDKit operations in molecule construction

  KiddoZhu

  committed
  cf2222e

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• fix bugs in layers.conv when using edge_linear

  Oxer11

  committed
  b41a764

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Commits on Oct 12, 2022

• fix: Un-standardization of predict method in PropertyPrediction DeepGraphLearning#109 (DeepGraphLearning#111)

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  3 peopleauthored
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Commits on Sep 30, 2022

• update AlphaFold links (DeepGraphLearning#137)

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  ShoufaChen

  authored
  02fb1e8

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Commits on Sep 22, 2022

• align esm with the latest fair-esm interface

  Oxer11

  committed
  180a9a8

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Commits on Sep 21, 2022

• fix num_entity in NeuralLP

  KiddoZhu

  committed
  c277640

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Commits on Sep 19, 2022

• v0.2.0

  KiddoZhu

  committed
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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
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