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Commits on Oct 28, 2020

• Updated results for JTN-VAE (added std) (molecularsets#88)

  danpol

  committedOct 28, 2020
  7b8f83b

Commits on May 13, 2020

• Merge pull request molecularsets#80 from spoilt333/combinatorial

  danpol

  committedMay 13, 2020
  8289bb1

Commits on Apr 25, 2020

• readme

  

  Artur Kadurin

  committedApr 25, 2020
  ff02c2a

• images updated

  

  Artur Kadurin

  committedApr 25, 2020
  c64af2d

• combinatorial samples and metrics

  

  Artur Kadurin

  committedApr 25, 2020
  bcc0ced

Commits on Apr 23, 2020

• Update .travis.yml

  spoilt333

  committedApr 23, 2020
  45f64fa

• Update .travis.yml

  spoilt333

  committedApr 23, 2020
  d973803

• Update .travis.yml

  spoilt333

  committedApr 23, 2020
  31c4083

• Update .travis.yml

  spoilt333

  committedApr 23, 2020
  4c883f4

• add more fit tests

  

  Artur Kadurin

  committedApr 23, 2020
  543eac1

• add fit test

  

  Artur Kadurin

  committedApr 23, 2020
  bcd5247

• print test error

  

  Artur Kadurin

  committedApr 23, 2020
  e8fc16c

• tests and reproducibility fix

  

  Artur Kadurin

  committedApr 23, 2020
  e2e4d3f

• combinatorial generator upated to do only valid fragment combination

  

  Artur Kadurin

  committedApr 23, 2020
  78cf286

Commits on Mar 26, 2020

• Replaced Fréchet 1D distance with Wasserstein-1 1D distance for properties (molecularsets#79)

  danpol

  committedMar 26, 2020
  b75dd89

• Added HMM, NGram and Combinatorial baselines (molecularsets#77)

  danpol

  committedMar 26, 2020
  8bdfd14

Commits on Mar 17, 2020

• Install MOSES dataset in moses package (molecularsets#73)

  

  danpol

  and

  daniil-polykovskiy-insilico

  committedMar 17, 2020
  b94468c

Commits on Feb 18, 2020

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

  danpol

  committedFeb 18, 2020
  ec178cd

Commits on Feb 6, 2020

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

  danpol

  committedFeb 6, 2020
  58a18e2

Commits on Jan 27, 2020

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

  

  SeemonJ

  authored and

  zhebrak

  committedJan 27, 2020
  7e366c2

Commits on Dec 20, 2019

• CircularBuffer Fix (molecularsets#64)

  

  beangoben

  authored and

  zhebrak

  committedDec 20, 2019
  ac31c07

Commits on Dec 19, 2019

• fix scipy version in travis (molecularsets#67)

  

  danpol

  authored and

  zhebrak

  committedDec 19, 2019
  c157e6d

Commits on Oct 24, 2019

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

  

  danpol

  authored and

  zhebrak

  committedOct 24, 2019
  799982d

• added the latentgan model (molecularsets#59)

  

  SeemonJ

  authored and

  zhebrak

  committedOct 24, 2019
  224015e

Commits on Oct 23, 2019

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

  

  danpol

  authored and

  zhebrak

  committedOct 23, 2019
  7ae0615

Commits on Sep 5, 2019

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

  

  shayakhmetov

  authored and

  zhebrak

  committedSep 5, 2019
  843570e

• Dockerfile updated (molecularsets#55)

  

  shayakhmetov

  authored and

  zhebrak

  committedSep 5, 2019
  bfcae3c

Commits on Sep 2, 2019

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

  

  danpol

  authored and

  zhebrak

  committedSep 2, 2019
  252353c

Commits on Jun 19, 2019

• flake8 (molecularsets#50)

  

  danpol

  authored and

  zhebrak

  committedJun 19, 2019
  63373a7

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

  

  pcko1

  authored and

  zhebrak

  committedJun 19, 2019
  00185d4

Commits on Jun 6, 2019

• Updated char_rnn results (molecularsets#48)

  

  danpol

  authored and

  zhebrak

  committedJun 6, 2019
  09e8a31

Commits on Apr 18, 2019

• cPickle -> pickle (molecularsets#43)

  

  danpol

  authored and

  zhebrak

  committedApr 18, 2019
  a383a5b

Commits on Mar 19, 2019

• missing script (molecularsets#39)

  

  danpol

  authored and

  zhebrak

  committedMar 19, 2019
  8641fee

Commits on Mar 14, 2019

• Update README.md

  zhebrak

  committedMar 14, 2019
  af6392f

Commits on Mar 6, 2019

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

  

  danpol

  authored and

  zhebrak

  committedMar 6, 2019
  bd2019e

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