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Commits on Dec 17, 2024

• Merge pull request #7 from ZhouGengmo/mv_scripts

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  Benzoin96485

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Commits on Dec 4, 2024

• mv training scripts

  

  zhougengmo

  committed
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Commits on Nov 30, 2024

• Merge pull request #6 from ZhouGengmo/add_data_process

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  Benzoin96485

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Commits on Nov 29, 2024

• typo

  

  zhougengmo

  committed
  e1c5289

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• add data preprocess file; add training workflow

  

  zhougengmo

  committed
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Commits on Aug 21, 2024

• protonation ensemble enumeration

  Benzoin96485

  committed
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Commits on Aug 12, 2024

• Update README.md for published paper and todo

  Benzoin96485

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Commits on Jun 17, 2024

• Update uni-pka app link

  Benzoin96485

  authored
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Commits on Apr 16, 2024

• Update enumerator for custom dataset

  Benzoin96485

  authored
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Commits on Jan 30, 2024

• Merge branch 'main' of https://github.com/dptech-corp/Uni-pKa

  

  Weiliang Luo

  committed
  e1b9f56

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• collect images in a folder

  

  Weiliang Luo

  committed
  f249c37

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• Merge pull request #1 from ZhouGengmo/add_model_code

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  Benzoin96485

  authored
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Commits on Jan 29, 2024

• add model-related code

  

  zhougm

  committed
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• high-quality illustrations

  

  Weiliang Luo

  committed
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Commits on Jan 27, 2024

• fix pKa format

  

  Weiliang Luo

  committed
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• add ML readme parts

  

  Weiliang Luo

  committed
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• add flow chart

  

  Weiliang Luo

  committed
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Commits on Jan 24, 2024

• add illustration for microstate enumerator

  

  Weiliang Luo

  committed
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• update readme

  

  Weiliang Luo

  committed
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Commits on Aug 17, 2023

• fix html in readme

  

  luowl

  committed
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• Uploaded

  

  luowl

  committed
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Commits on Aug 16, 2023

• Initial commit

  zhengh96

  authored
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