Skip to content
@lcmd-epfl

Laboratory for Computational Molecular Design

Popular repositories Loading

  1. cell2mol cell2mol Public

    Python 23 6

  2. EquiReact EquiReact Public

    16 4

  3. Q-stack Q-stack Public

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

    Python 13 5

  4. volcanic volcanic Public

    A program to automatically generate volcano plots for catalysis.

    Python 10 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 9 2

  6. NaviCat NaviCat Public

    A platform for catalyst discovery

    8

Repositories

Showing 10 of 33 repositories
  • 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 13 MIT 5 12 4 Updated Jul 2, 2024
  • cibo Public
    lcmd-epfl/cibo’s past year of commit activity
    Python 3 MIT 0 0 0 Updated Jul 2, 2024
  • cell2mol Public
    lcmd-epfl/cell2mol’s past year of commit activity
    Python 23 GPL-3.0 6 1 0 Updated Jul 1, 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 3 MIT 0 0 0 Updated Jun 27, 2024
  • EquiReact Public
    lcmd-epfl/EquiReact’s past year of commit activity
    16 4 3 0 Updated Jun 11, 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
  • 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 5 1 0 0 Updated May 20, 2024
  • volcanic Public

    A program to automatically generate volcano plots for catalysis.

    lcmd-epfl/volcanic’s past year of commit activity
    Python 10 MIT 2 0 0 Updated May 7, 2024
  • SPAHM-RHO Public
    lcmd-epfl/SPAHM-RHO’s past year of commit activity
    Roff 3 MIT 0 1 0 Updated Apr 12, 2024
  • benchmark-barrier-learning Public

    Benchmarking reaction representations for the learning of reaction barriers

    lcmd-epfl/benchmark-barrier-learning’s past year of commit activity
    2 1 0 0 Updated Apr 2, 2024
View all repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…