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Commits on Jun 22, 2023

• Merge pull request molecularsets#95 from UnixJunkie/patch-2

  Show description for dd7ed6a
  daniil-polykovskiy-insilico

  authored
  dd7ed6a

Commits on Sep 1, 2021

• please check the required pomegranate version constraint

  Show description for c561910
  UnixJunkie

  authored
  c561910

Commits on Oct 28, 2020

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

  Show description for 7b8f83b
  danpol

  authored
  7b8f83b

Commits on May 13, 2020

• Merge pull request molecularsets#80 from spoilt333/combinatorial

  Show description for 8289bb1
  danpol

  authored
  8289bb1

Commits on Apr 25, 2020

• readme

  

  Artur Kadurin

  committed
  ff02c2a

• images updated

  

  Artur Kadurin

  committed
  c64af2d

• combinatorial samples and metrics

  

  Artur Kadurin

  committed
  bcc0ced

Commits on Apr 23, 2020

• Update .travis.yml

  spoilt333

  authored
  45f64fa

• Update .travis.yml

  spoilt333

  authored
  d973803

• Update .travis.yml

  spoilt333

  authored
  31c4083

• Update .travis.yml

  spoilt333

  authored
  4c883f4

• add more fit tests

  

  Artur Kadurin

  committed
  543eac1

• add fit test

  

  Artur Kadurin

  committed
  bcd5247

• print test error

  

  Artur Kadurin

  committed
  e8fc16c

• tests and reproducibility fix

  

  Artur Kadurin

  committed
  e2e4d3f

• combinatorial generator upated to do only valid fragment combination

  

  Artur Kadurin

  committed
  78cf286

Commits on Mar 26, 2020

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

  danpol

  authored
  b75dd89

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

  danpol

  authored
  8bdfd14

Commits on Mar 17, 2020

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

  Show description for b94468c
  

  danpol

  and

  daniil-polykovskiy-insilico

  authored
  b94468c

Commits on Feb 18, 2020

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

  Show description for ec178cd
  danpol

  authored
  ec178cd

Commits on Feb 6, 2020

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

  Show description for 58a18e2
  danpol

  authored
  58a18e2

Commits on Jan 27, 2020

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

  Show description for 7e366c2
  

  SeemonJ

  authored and

  zhebrak

  committed
  7e366c2

Commits on Dec 20, 2019

• CircularBuffer Fix (molecularsets#64)

  Show description for ac31c07
  

  beangoben

  authored and

  zhebrak

  committed
  ac31c07

Commits on Dec 19, 2019

• fix scipy version in travis (molecularsets#67)

  

  danpol

  authored and

  zhebrak

  committed
  c157e6d

Commits on Oct 24, 2019

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

  Show description for 799982d
  

  danpol

  authored and

  zhebrak

  committed
  799982d

• added the latentgan model (molecularsets#59)

  Show description for 224015e
  

  SeemonJ

  authored and

  zhebrak

  committed
  224015e

Commits on Oct 23, 2019

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

  Show description for 7ae0615
  

  danpol

  authored and

  zhebrak

  committed
  7ae0615

Commits on Sep 5, 2019

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

  Show description for 843570e
  

  shayakhmetov

  authored and

  zhebrak

  committed
  843570e

• Dockerfile updated (molecularsets#55)

  Show description for bfcae3c
  

  shayakhmetov

  authored and

  zhebrak

  committed
  bfcae3c

Commits on Sep 2, 2019

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

  Show description for 252353c
  

  danpol

  authored and

  zhebrak

  committed
  252353c

Commits on Jun 19, 2019

• flake8 (molecularsets#50)

  

  danpol

  authored and

  zhebrak

  committed
  63373a7

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

  Show description for 00185d4
  

  pcko1

  authored and

  zhebrak

  committed
  00185d4

Commits on Jun 6, 2019

• Updated char_rnn results (molecularsets#48)

  Show description for 09e8a31
  

  danpol

  authored and

  zhebrak

  committed
  09e8a31

Commits on Apr 18, 2019

• cPickle -> pickle (molecularsets#43)

  Show description for a383a5b
  

  danpol

  authored and

  zhebrak

  committed
  a383a5b

Commits on Mar 19, 2019

• missing script (molecularsets#39)

  

  danpol

  authored and

  zhebrak

  committed
  8641fee

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