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Commits on Feb 24, 2022

• Add hot link to Scientific Data paper

  PaulWAyers

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Commits on Oct 29, 2021

• Merge pull request theochem#20 from fwmeng88/citation

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  FanwangM

  authored
  26f9c75

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• Update citation in README.md

  FanwangM

  committed
  eec384b

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• Remove double quto from title

  FanwangM

  committed
  298649e

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• Remove "pages"

  FanwangM

  committed
  0505e14

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• Fix typos

  FanwangM

  committed
  22d2f8e

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• Use scientific publication

  FanwangM

  committed
  8725a06

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• Add CITATION draft

  FanwangM

  committed
  634a001

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Commits on Aug 26, 2021

• Slight tweaks to Readme Wording

  PaulWAyers

  authored
  e3fbfc6

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• Merge pull request theochem#19 from fwmeng88/revision

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  FanwangM

  authored
  99c147d

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• Explain why only one notebook available in MyBinder

  FanwangM

  committed
  a2237cc

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• Add MyBinder link

  FanwangM

  committed
  47cae41

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• Fix typos

  FanwangM

  committed
  e8c9ae5

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• Merge pull request theochem#18 from fwmeng88/revision

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  FanwangM

  authored
  86b1a38

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• Add descriptions

  FanwangM

  committed
  d66982e

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• Update extended dataset usage and fix typos

  FanwangM

  committed
  eb65fd0

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• Use *.tsx.gz to save space

  FanwangM

  committed
  7445eb1

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• Add PCA projection with precomputed descriptors

  FanwangM

  committed
  ae773a9

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• Rename PCA projection

  FanwangM

  committed
  ffe468b

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Commits on Aug 20, 2021

• Merge pull request theochem#17 from fwmeng88/revision

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  FanwangM

  authored
  b919083

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• Update README.md

  FanwangM

  committed
  6691a92

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• Merge pull request theochem#16 from fwmeng88/revision

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  FanwangM

  authored
  bc97086

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• Clean up PCA_projection

  FanwangM

  committed
  1e7810e

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• Add PCA projections sample code

  FanwangM

  committed
  7b4a1bf

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• Add numerical_data_analysis Jupyter notebook

  FanwangM

  committed
  0c3282a

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Commits on Aug 19, 2021

• Merge pull request theochem#15 from fwmeng88/revision

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  FanwangM

  authored
  6f47355

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• Update general script to build environment

  FanwangM

  committed
  23ae49a

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• Merge pull request theochem#14 from fwmeng88/revision

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  FanwangM

  authored
  6958fbd

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• Add openeye-toolkit and update version info

  FanwangM

  committed
  19fe7d9

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Commits on Aug 18, 2021

• Merge pull request theochem#13 from fwmeng88/revision

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  FanwangM

  authored
  3c1c82c

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• Fix ALOGPS package name display

  FanwangM

  committed
  1955e80

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• Add ALOGPS website

  FanwangM

  committed
  b31300f

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• Update virtual environment construction guidelines

  FanwangM

  committed
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• Add requirements.txt

  FanwangM

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Commits on Jun 22, 2021

• Merge pull request theochem#12 from fwmeng88/fix_README

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  FanwangM

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  da94f07

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