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@cimm-kzn

KFU ChemoInformatics and Molecular Modeling Laboratory

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  1. CGRtools CGRtools Public

    Forked from Python3pkg/CGRtools

    CGRs, molecules and reactions manipulation

    Python 43 16

  2. CIMtools CIMtools Public

    Python 14 17

Repositories

Showing 10 of 18 repositories
  • chython Public Forked from chython/chython

    Library for processing molecules and reactions in python way

    cimm-kzn/chython’s past year of commit activity
    Python 0 LGPL-3.0 11 0 0 Updated Dec 18, 2024
  • rc_cvae Public
    cimm-kzn/rc_cvae’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Oct 31, 2024
  • s-vae-tf Public Forked from nicola-decao/s-vae-tf

    Tensorflow implementation of Hyperspherical Variational Auto-Encoders

    cimm-kzn/s-vae-tf’s past year of commit activity
    Python 0 MIT 40 0 0 Updated Oct 30, 2024
  • 3D-MIL-QSAR Public

    Multi-instance ML for ligand bioactivity prediction

    cimm-kzn/3D-MIL-QSAR’s past year of commit activity
    Python 54 18 9 0 Updated Jul 26, 2024
  • iSynthesis Public

    Forward synthesis planning system

    cimm-kzn/iSynthesis’s past year of commit activity
    0 LGPL-3.0 0 0 0 Updated Jul 15, 2024
  • CIMtools Public
    cimm-kzn/CIMtools’s past year of commit activity
    Python 14 GPL-3.0 17 1 1 Updated Dec 25, 2023
  • CGRdb Public Forked from stsouko/CGRdb
    cimm-kzn/CGRdb’s past year of commit activity
    Python 0 LGPL-3.0 12 0 0 Updated Aug 5, 2023
  • CIMM Public

    Lab WEB-site

    cimm-kzn/CIMM’s past year of commit activity
    TeX 1 5 0 0 Updated Jun 9, 2023
  • CGRtools Public Forked from Python3pkg/CGRtools

    CGRs, molecules and reactions manipulation

    cimm-kzn/CGRtools’s past year of commit activity
    Python 43 LGPL-3.0 38 1 0 Updated Oct 31, 2022
  • CGRutils Public

    Utilities based on CGRtools which can be useful for chemical data processing

    cimm-kzn/CGRutils’s past year of commit activity
    0 0 0 0 Updated Dec 23, 2021
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