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Commits on Feb 13, 2019

• Travis CI + distribution plot (molecularsets#35)

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  danpol

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Commits on Feb 12, 2019

• isomeric dataset (molecularsets#33)

  

  danpol

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• Updated metrics (molecularsets#31)

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  danpol

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• Updated metrics (molecularsets#30)

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  danpol

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Commits on Feb 11, 2019

• FCD from fcd_torch (molecularsets#29)

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  danpol

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Commits on Feb 4, 2019

• Interface unification (molecularsets#23)

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  hbq1

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Commits on Jan 26, 2019

• Hyperparameters (molecularsets#22)

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  danpol

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Commits on Jan 17, 2019

• Metrics minor fixes (molecularsets#17)

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  AndreyFilimonov

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• add version to the dataset (molecularsets#16)

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  rtriangle

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Commits on Jan 14, 2019

• Docker: tensorflow gpu version, size reduction and documentation updates (molecularsets#18)

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  shayakhmetov

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Commits on Dec 25, 2018

• Precompute metrics on test splits (molecularsets#14)

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  danpol

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Commits on Dec 21, 2018

• Update README.md

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• Merge pull request molecularsets#13 from molecularsets/documentation

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Commits on Dec 12, 2018

• indentation in table

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• update documentation

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Commits on Dec 11, 2018

• Merge pull request molecularsets#10 from shayakhmetov/master

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• Docker pull from DockerHub

  

  Rim Shayakhmetov

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Commits on Dec 4, 2018

• Merge pull request molecularsets#6 from lilleswing/license

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• Update LICENSE

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• License

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Commits on Dec 3, 2018

• Arxive paper in Readme

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Commits on Nov 30, 2018

• Merge pull request molecularsets#3 from shayakhmetov/master

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• rdkit fix

  

  Rim Shayakhmetov

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• README Docker added

  

  Rim Shayakhmetov

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• rdkit version updated

  

  Rim Shayakhmetov

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• matplotlib 3.0.1

  

  Rim Shayakhmetov

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• gitignore updated

  

  Rim Shayakhmetov

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• Merge pull request molecularsets#4 from molecularsets/paper

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• Merge pull request molecularsets#2 from Oktai15/patch-1

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• rm miniconda install file

  

  Rim Shayakhmetov

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• typo

  danpol

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• Update README.md

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• added manuscript

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• run.py updated, git lfs install

  

  Rim Shayakhmetov

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• downlaod url

  danpol

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