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Commits on Feb 18, 2020

• pylint + fix ks argument type (molecularsets#72)

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  danpol

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Commits on Feb 6, 2020

• Updated Dockerfile and README.md for LatentGAN (molecularsets#70)

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  danpol

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Commits on Jan 27, 2020

• Updated mean/sd and table/plots (molecularsets#62)

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  SeemonJ

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Commits on Dec 20, 2019

• CircularBuffer Fix (molecularsets#64)

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  beangoben

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Commits on Dec 19, 2019

• fix scipy version in travis (molecularsets#67)

  

  danpol

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Commits on Oct 24, 2019

• Add latent gan metrics in README (molecularsets#60)

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  danpol

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• added the latentgan model (molecularsets#59)

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  SeemonJ

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Commits on Oct 23, 2019

• Use local cache of ZINC dataset, since original URL is not available anymore (molecularsets#58)

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  danpol

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Commits on Sep 5, 2019

• Data path fix in accordance with the documentation (molecularsets#56)

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  shayakhmetov

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• Dockerfile updated (molecularsets#55)

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  shayakhmetov

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Commits on Sep 2, 2019

• Novelty metric & std for metrics (molecularsets#54)

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  danpol

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Commits on Jun 19, 2019

• flake8 (molecularsets#50)

  

  danpol

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• Catch ValueError: Sanitization error in compute_scaffold() (molecularsets#49)

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  pcko1

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Commits on Jun 6, 2019

• Updated char_rnn results (molecularsets#48)

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  danpol

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Commits on Apr 18, 2019

• cPickle -> pickle (molecularsets#43)

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  danpol

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Commits on Mar 19, 2019

• missing script (molecularsets#39)

  

  danpol

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Commits on Mar 14, 2019

• Update README.md

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Commits on Mar 6, 2019

• PyPi package, updated results and pep8 for everything (molecularsets#38)

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  danpol

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Commits on Feb 27, 2019

• Update README.md (molecularsets#37)

  

  danpol

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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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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

  zhebrak

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• Merge pull request molecularsets#13 from molecularsets/documentation

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  zhebrak

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Commits on Dec 12, 2018

• indentation in table

  zhebrak

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• update documentation

  zhebrak

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Commits on Dec 11, 2018

• Merge pull request molecularsets#10 from shayakhmetov/master

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