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Commits on Jul 18, 2023

• remove dependency in theano

  futianfan

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  ba3972d

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• remove dependency in theano

  futianfan

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• remove dependency in theano

  futianfan

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  8fe9c68

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• remove dependency in theano

  futianfan

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• remove dependency in theano

  futianfan

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Commits on Jul 2, 2023

• Update README.md

  futianfan

  authored
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Commits on May 22, 2023

• smiles_aug_mem, smiles_bar in run.py

  futianfan

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Commits on May 21, 2023

• Update README.md

  futianfan

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  75fc194

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

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  futianfan

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• Augmented Memory and Best Agent Reminder added

  GuoJeff

  committed
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Commits on Jan 21, 2023

• Update README.md

  futianfan

  authored
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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
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• added AHC

  MorganCThomas

  committed
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Commits on Dec 12, 2022

• add smiles_ahc

  MorganCThomas

  committed
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Commits on Oct 5, 2022

• update moldqn readme

  futianfan

  authored
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Commits on Sep 16, 2022

• progress

  wenhao-gao

  committed
  edf76f3

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• update readme

  wenhao-gao

  committed
  91b4353

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• graphinvent initial commit

  wenhao-gao

  committed
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Commits on Aug 12, 2022

• tune some hyperparams for hebo to accelerate

  

  Tianfan Fu

  committed
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Commits on Aug 11, 2022

• update BO in hebo using botorch

  

  Tianfan Fu

  committed
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Commits on Aug 9, 2022

• hebo is done; but very slow, data file is too large

  

  Tianfan Fu

  committed
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Commits on Jun 29, 2022

• update readme

  wenhao-gao

  committed
  e788917

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• Merge pull request wenhao-gao#17 from wenhao-gao/wenhao_dev8

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  wenhao-gao

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• Merge branch 'main' into wenhao_dev8

  wenhao-gao

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  d47dd75

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• synnet some update

  wenhao-gao

  committed
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Commits on Jun 28, 2022

• Update README.md

  futianfan

  authored
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Commits on Jun 11, 2022

• polish readme

  futianfan

  committed
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Commits on Jun 10, 2022

• polish readme

  futianfan

  committed
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• readme

  futianfan

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• clean up readme

  futianfan

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• clean up readme

  futianfan

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• clean up readme

  futianfan

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• clean up readme

  futianfan

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