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@EPiCs-group

Evgeny Pidko & Coworkers

A group of theoretical chemists and cheminformaticians under the ideological inspiration of Prof. Dr. Evgeny Pidko

Popular repositories

  1. chemspax chemspax Public

    A Python tool for local chemical space exploration of any structure based on their 3D geometry

    Python 10 5

  2. ODE_fitter ODE_fitter Public

    Repository for Chemfit and Chemscreen, kinetic data fitting programs. I'd love any questions about the program. I can be reached on nathan.2099@hotmail.com

    Jupyter Notebook 2

  3. epic-mace epic-mace Public

    Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.

    Python

  4. pKa_TM_hydrides_dataset pKa_TM_hydrides_dataset Public

    Jupyter Notebook

  5. published_code_ekhramen published_code_ekhramen Public

Repositories

Showing 5 of 5 repositories
  • chemspax Public

    A Python tool for local chemical space exploration of any structure based on their 3D geometry

    Python 10 MIT 5 4 1 Updated Apr 29, 2024
  • ODE_fitter Public

    Repository for Chemfit and Chemscreen, kinetic data fitting programs. I'd love any questions about the program. I can be reached on nathan.2099@hotmail.com

    Jupyter Notebook 2 0 0 0 Updated May 24, 2023
  • epic-mace Public

    Python package for the automated screening and discovery of octahedral and square-planar mononuclear metal complexes.

    Python 0 GPL-3.0 0 11 0 Updated Mar 3, 2023
  • 0 0 0 0 Updated Jun 1, 2022
  • Jupyter Notebook 0 MIT 0 0 0 Updated Jan 30, 2022

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