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Commits on Aug 12, 2025

• Update README.md

  FanwangM

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Commits on Jan 19, 2025

• Revert scikit-learn to 0.24.2

  FanwangM

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Commits on Jul 2, 2024

• Merge pull request #32 from theochem/pre-commit-ci-update-config

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  FanwangM

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  1c9c812

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Commits on Apr 8, 2024

• [pre-commit.ci] pre-commit autoupdate

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  pre-commit-ci[bot]

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Commits on Feb 2, 2024

• Merge pull request #31 from theochem/dependabot/pip/scikit-learn-1.0.1

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  PaulWAyers

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• Bump scikit-learn from 0.24.2 to 1.0.1

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  dependabot[bot]

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Commits on Oct 23, 2023

• Merge pull request #26 from theochem/pre-commit-ci-update-config

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  FanwangM

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  b2ce80a

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• Merge pull request #28 from theochem/update_joblib

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  FanwangM

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• Update joblib files

  FanwangM

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Commits on Oct 9, 2023

• [pre-commit.ci] pre-commit autoupdate

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  pre-commit-ci[bot]

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• Merge pull request #25 from theochem/web_app

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  FanwangM

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• Update the function to allow direct usage of molecular features

  FanwangM

  committed
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• Merge pull request #24 from theochem/web_app

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  FanwangM

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• Fix pandas assigning new column

  FanwangM

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Commits on Oct 8, 2023

• Refactor

  FanwangM

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  da78638

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• Drop setting ID as index as it is already

  FanwangM

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Commits on Oct 7, 2023

• Merge pull request #23 from theochem/update_actions

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  FanwangM

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• Update Action name

  FanwangM

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  df8d495

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• Merge pull request #22 from theochem/pre_commit_config

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  FanwangM

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• Clean up files

  FanwangM

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  1b09d83

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• Add pre-commit configuration file

  FanwangM

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  f15c138

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• Merge pull request #21 from theochem/sync_hf

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  FanwangM

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• Add GitHub action to sync repo to Hugging Face model

  FanwangM

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Commits on Mar 16, 2022

• Merge pull request #19 from fwmeng88/running_time

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  FanwangM

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  1815b81

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• Clean up and fix typos

  FanwangM

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  8555564

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• Merge pull request #18 from fwmeng88/running_time

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  FanwangM

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• Clean up

  FanwangM

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  fb3de7a

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Commits on Mar 12, 2022

• Add support to drop molecules with infinity values

  FanwangM

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Commits on Mar 11, 2022

• Add option to drop rows with NaN values

  FanwangM

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Commits on Mar 10, 2022

• Merge pull request #17 from fwmeng88/running_time

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  FanwangM

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• Add running time control

  FanwangM

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  4069fc5

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Commits on Mar 6, 2022

• Merge pull request #15 from theochem/fix_MANIFEST

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  FanwangM

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• Fix file path

  FanwangM

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  93f81da

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• Merge pull request #14 from fwmeng88/feature_support

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  FanwangM

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• Fix file path in MANIFEST.in

  FanwangM

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  83460dc

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