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Commits on Oct 24, 2024

• Add missing files

  

  Dannong Wang

  committed
  502cbf8

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• Add missing files

  

  Dannong Wang

  committed
  eb1dfd5

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Commits on Oct 21, 2024

• Add dREINFORCE Algorithm

  

  Dannong Wang

  committed
  5d3cf80

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Commits on May 23, 2024

• add reinvent-transformer (pengcheng xu)

  futianfan

  authored
  2da631b

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• Merge pull request wenhao-gao#31 from explcre/main

  Show description for 28bca36
  futianfan

  authored
  28bca36

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Commits on May 22, 2024

• Update README.md

  explcre

  authored
  f8530df

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• Update README.md

  explcre

  authored
  fdee439

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• Update README.md

  explcre

  authored
  e7a6b47

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• Update README.md, add file link

  explcre

  authored
  686c2ff

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Commits on May 21, 2024

• Update run.py add reinvent_transformer method

  explcre

  authored
  dde1a28

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• Add files via upload

  explcre

  authored
  d93af5b

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• add Vizard file

  explcre

  authored
  66c0f88

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• reinvent_transformer code

  explcre

  authored
  f0c5d34

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Commits on May 14, 2024

• Delete reinvent_transformer directory

  explcre

  authored
  6fdcd5c

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• Add files via upload

  explcre

  authored
  8d21887

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• add reinvent_transformer path

  explcre

  authored
  25c6584

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Commits on Apr 7, 2024

• Update README.md

  futianfan

  authored
  73c9907

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Commits on Nov 29, 2023

• remove wandb dependency

  futianfan

  authored
  c87b4a5

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• remove dependency on wandb

  futianfan

  authored
  f586e52

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Commits on Jul 20, 2023

• delete pretraining data in JTVAE

  futianfan

  authored
  ca45542

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• delete pretraining data in REINVENT

  futianfan

  authored
  59ca748

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Commits on Jul 19, 2023

• remove the repetitive files between smiles_bar and smiles_aug_mem; add a soft link

  

  Tianfan Fu

  committed
  49969eb

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• delete redundant pretrained ckpt in SMILES_VAE

  futianfan

  authored
  ee3f305

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• remove redundant checkpoint in selfies_vae

  futianfan

  authored
  a2a7d7d

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• delete redundant pretrained VAE model in JTVAE

  futianfan

  authored
  fccdcaa

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• remove chembo, boss, hebo, due to lack of efficiency and effectiveness

  

  Tianfan Fu

  committed
  34243b6

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• delete rationale_RL, it is property-dependent.

  futianfan

  authored
  b693a27

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• remove redundant file

  futianfan

  authored
  e656f85

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• remove the same large data file between gflownet and gflownet_al

  

  Tianfan Fu

  committed
  f993447

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• Delete labelling.py

  futianfan

  authored
  a4e9764

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Commits on Jul 18, 2023

• Create setup.py

  futianfan

  authored
  268733b

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• remove unnecessary packages

  

  Tianfan Fu

  committed
  2a62cc1

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• Merge branch 'main' of github.com:wenhao-gao/mol_opt

  

  Tianfan Fu

  committed
  ebda582

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• clean unnecessary packages

  

  Tianfan Fu

  committed
  e464e3f

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• remove dependency in theano

  futianfan

  authored
  c930f3c

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