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Commits on Jan 18, 2021

• fixed!

  stsouko

  committed
  09d5ea8

Commits on Jan 17, 2021

• Datasets (cimm-kzn#32)

  Show description for 1f9bdfb
  Okonce

  authored
  1f9bdfb

Commits on Dec 25, 2020

• sklearn update.

  stsouko

  committed
  cd88a96

Commits on Sep 15, 2020

• setup script refactored

  stsouko

  committed
  607245b

Commits on Sep 10, 2020

• setup fixed

  stsouko

  committed
  a2c7c96

Commits on Jul 9, 2020

• fixes

  stsouko

  committed
  2186076

Commits on Jul 6, 2020

• fix

  stsouko

  committed
  c92c9e1

• refactored CGR standardizer.

  Show description for 39f40ef
  stsouko

  committed
  39f40ef

Commits on Jun 4, 2020

• docs configured

  stsouko

  committed
  19cd864

• RDtool refactored.

  stsouko

  committed
  5528db6

• ChemAxon usage refactored.

  stsouko

  committed
  cc3d941

Commits on May 12, 2020

• * Graph to Matrix transformer added

  Show description for fdf1d2f
  stsouko

  committed
  fdf1d2f

Commits on May 1, 2020

• DictToConditions now transformer

  stsouko

  committed
  de98379

Commits on Apr 30, 2020

• Add mapper.py (cimm-kzn#21)

  Show description for b1b22a1
  

  zarinaIbr

  and

  stsouko

  authored
  b1b22a1

Commits on Apr 29, 2020

• fragmentor removing tempfiles fixed

  stsouko

  committed
  a77de33

Commits on Apr 14, 2020

• fixed rtc

  stsouko

  committed
  5f42839

Commits on Jan 3, 2020

• documentation configured.

  Show description for 741a8ac
  stsouko

  committed
  741a8ac

Commits on Dec 24, 2019

• numpy is requirements of pandas

  

  stsouko

  committed
  50bb4de

Commits on Nov 24, 2019

• headless fragmentor error fixed for small or bondless molecules.

  Show description for 6e14f24
  

  Ramil Nugmanov

  committed
  6e14f24

Commits on Nov 16, 2019

• mac supporting added.

  Show description for f1718f2
  

  Ramil Nugmanov

  committed
  f1718f2

Commits on Oct 15, 2019

• fragmentor distribution added.

  

  stsouko

  committed
  75c2e7c

• CGRtools 4.0 port (cimm-kzn#14)

  Show description for af067e8
  stsouko

  authored
  af067e8

Commits on Mar 29, 2019

• now 3.6 acceptable

  

  stsouko

  committed
  80a92de

Commits on Feb 14, 2019

• cgrtools update

  

  stsouko

  committed
  222bbde

Commits on Jan 12, 2019

• solvents names updated.

  

  Ramil Nugmanov

  committed
  300765f

Commits on Jan 3, 2019

• fragmentor AD api changed.

  

  Ramil Nugmanov

  committed
  7887ecb

Commits on Dec 19, 2018

• solvents updated.

  

  stsouko

  committed
  b6f0bc2

Commits on Dec 17, 2018

• no marta - no markers

  Show description for 59f37e6
  

  stsouko

  committed
  59f37e6

Commits on Dec 14, 2018

• fixes.

  

  stsouko

  committed
  85ff605

Commits on Dec 11, 2018

• imports refactored.

  Show description for f1a5366
  

  stsouko

  committed
  f1a5366

Commits on Oct 5, 2018

• Licence changed from AGPL to GPL

  Show description for 40a2f8d
  

  Ramil Nugmanov

  committed
  40a2f8d

Commits on Sep 30, 2018

• now configuration based on environments.

  

  Ramil Nugmanov

  committed
  28479bb

Commits on Sep 28, 2018

• fragmentor init fixed.

  Show description for 0ad0653
  

  stsouko

  committed
  0ad0653

Commits on Sep 7, 2018

• setup fixed.

  

  stsouko

  committed
  53e8ce3

• config refactored. now using environment.

  Show description for 8d3ff14
  

  stsouko

  committed
  8d3ff14

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