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Commits on Dec 25, 2023

• update to latest numpy version (1.26.2)

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  valiaafo

  committed
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• Update README.rst

  

  Pandylandy

  authored and

  valiaafo

  committed
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• Update README.rst

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  Pandylandy

  authored and

  valiaafo

  committed
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• add compatibility with Python 3.10 (import from collections module)

  valiaafo

  committed
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Commits on May 12, 2021

• fixed fragmentor pickle load.

  stsouko

  committed
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Commits on Feb 3, 2021

• described datasets

  stsouko

  authored
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Commits on Jan 28, 2021

• caught 'out of memory error in java' (cimm-kzn#34)

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  salikhovi4

  authored
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Commits on Jan 21, 2021

• chemaxon standardize fixed for version 21.1.

  stsouko

  committed
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• chemaxon standardize now can skip errors

  stsouko

  committed
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Commits on Jan 20, 2021

• Nicklaus tautomers dataset added.

  stsouko

  committed
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Commits on Jan 19, 2021

• tutorial added to doc

  stsouko

  committed
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Commits on Jan 18, 2021

• Validation tutorial (cimm-kzn#33)

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  Okonce

  authored
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• tutorial update

  stsouko

  committed
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• fixed!

  stsouko

  committed
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Commits on Jan 17, 2021

• Datasets (cimm-kzn#32)

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  Okonce

  authored
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Commits on Dec 25, 2020

• sklearn update.

  stsouko

  committed
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Commits on Oct 23, 2020

• to GraphToMatrix new data structure added

  stsouko

  committed
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Commits on Sep 15, 2020

• setup script refactored

  stsouko

  committed
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Commits on Sep 10, 2020

• setup fixed

  stsouko

  committed
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Commits on Jul 9, 2020

• Ad notebook finish (cimm-kzn#31)

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  Okonce

  authored
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• fixes

  stsouko

  committed
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Commits on Jul 6, 2020

• fix

  stsouko

  committed
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• refactored CGR standardizer.

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  stsouko

  committed
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Commits on Jul 5, 2020

• AD notebook (cimm-kzn#29)

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  Okonce

  authored
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Commits on Jun 5, 2020

• function description (cimm-kzn#26)

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  Okonce

  authored
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Commits on Jun 4, 2020

• logo added.

  stsouko

  committed
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• docs updated.

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  stsouko

  committed
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• docs configured

  stsouko

  committed
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• RDtool refactored.

  stsouko

  committed
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• ChemAxon usage refactored.

  stsouko

  committed
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Commits on May 29, 2020

• Gpr (cimm-kzn#24)

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  Okonce

  authored
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• mapping keeping added.

  stsouko

  committed
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Commits on May 12, 2020

• * Graph to Matrix transformer added

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  stsouko

  committed
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Commits on May 8, 2020

• mappingchemaxom (cimm-kzn#23)

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  zarinaIbr

  and

  stsouko

  authored
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Commits on May 1, 2020

• fixed type checking

  stsouko

  committed
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