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@lcmd-epfl

Laboratory for Computational Molecular Design

Popular repositories

  1. cell2mol cell2mol Public

    Python 23 6

  2. EquiReact EquiReact Public

    18 4

  3. Q-stack Q-stack Public

    Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)

    Python 14 5

  4. volcanic volcanic Public

    A program to automatically generate volcano plots for catalysis.

    Python 11 2

  5. molecular_data_explorer molecular_data_explorer Public

    Python script to create a web app with Dash to visualize molecular data and molecular geometries

    Python 10 3

  6. NaviCat NaviCat Public

    A platform for catalyst discovery

    9

Repositories

Showing 10 of 35 repositories
  • cibo Public
    lcmd-epfl/cibo’s past year of commit activity
    Python 4 MIT 0 0 0 Updated Aug 19, 2024
  • marc Public

    A tool to select a subset of most representative conformers from a large conformational ensemble.

    lcmd-epfl/marc’s past year of commit activity
    Python 4 MIT 2 0 0 Updated Aug 7, 2024
  • Q-stack Public

    Stack of codes for dedicated pre- and post-processing tasks for Quantum Machine Learning (QML)

    lcmd-epfl/Q-stack’s past year of commit activity
    Python 14 MIT 5 9 3 Updated Jul 25, 2024
  • spock Public

    Empirical Volcano Plot fitting tool

    lcmd-epfl/spock’s past year of commit activity
    Jupyter Notebook 0 MIT 1 0 0 Updated Jul 24, 2024
  • EquiReact Public
    lcmd-epfl/EquiReact’s past year of commit activity
    18 4 3 0 Updated Jul 15, 2024
  • mikimo Public

    A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions using energy data.

    lcmd-epfl/mikimo’s past year of commit activity
    Python 6 1 0 0 Updated Jul 12, 2024
  • NaviCat Public

    A platform for catalyst discovery

    lcmd-epfl/NaviCat’s past year of commit activity
    9 MIT 0 0 0 Updated Jul 8, 2024
  • ucGA Public

    Uncertainty-Controlled Genetic Algorithm

    lcmd-epfl/ucGA’s past year of commit activity
    Python 0 0 0 0 Updated Jul 3, 2024
  • cell2mol Public
    lcmd-epfl/cell2mol’s past year of commit activity
    Python 23 GPL-3.0 6 1 0 Updated Jul 1, 2024
  • MLKRR Public

    Code for the Metric Learning for Kernel Ridge Regression algorithm

    lcmd-epfl/MLKRR’s past year of commit activity
    8 MIT 4 3 3 Updated Jun 6, 2024
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