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Commits on Apr 7, 2024

• Update README.md

  futianfan

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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
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Commits on Jul 20, 2023

• delete pretraining data in JTVAE

  futianfan

  authored
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• delete pretraining data in REINVENT

  futianfan

  authored
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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
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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
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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
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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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• remove dependency in theano

  futianfan

  authored
  ba3972d

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• remove dependency in theano

  futianfan

  authored
  62e3765

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• remove dependency in theano

  futianfan

  authored
  8fe9c68

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• remove dependency in theano

  futianfan

  authored
  ca29d77

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• remove dependency in theano

  futianfan

  authored
  1da3c9b

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Commits on Jul 2, 2023

• Update README.md

  futianfan

  authored
  6ec94f8

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Commits on May 22, 2023

• smiles_aug_mem, smiles_bar in run.py

  futianfan

  committed
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Commits on May 21, 2023

• Update README.md

  futianfan

  authored
  75fc194

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• Merge pull request wenhao-gao#20 from GuoJeff/main

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  futianfan

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  524b48a

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• Augmented Memory and Best Agent Reminder added

  GuoJeff

  committed
  0f329a6

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Commits on Jan 21, 2023

• Update README.md

  futianfan

  authored
  83de289

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Commits on Dec 15, 2022

• smiles augmented HC: new method is added

  

  Tianfan Fu

  authored and

  Tianfan Fu

  committed
  1b54336

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• Merge pull request wenhao-gao#18 from MorganCThomas/main

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  futianfan

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Commits on Dec 14, 2022

• add functionality described in 'Re-evaluating sample efficiency in de novo molecule generation'

  MorganCThomas

  committed
  f432cd7

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• added AHC

  MorganCThomas

  committed
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Commits on Dec 12, 2022

• add smiles_ahc

  MorganCThomas

  committed
  61e5ea4

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