Skip to content
@chemspacelab

chemspacelab

Popular repositories Loading

  1. mosaics mosaics Public

    Evolutionary Monte Carlo algorithm for optimization in chemical space.

    Python 12 1

  2. meltingpoint meltingpoint Public

    Python 4

  3. Enhanced-Hammett Enhanced-Hammett Public

    Library for using the enhanced Hammett model presented by Bragato, von Rudorff and von Lilienfeld

    Python 1

  4. qm9-C7O2H10 qm9-C7O2H10 Public

    Subset of QM9 with C7O2H10 stoichiometry in SDF format including torsion angles

    Python

  5. clockwork clockwork Public

    Forked from ferchault/clockwork

    Python

  6. mlscheduling mlscheduling Public

    Forked from ferchault/mlscheduling

    Shell

Repositories

Showing 10 of 11 repositories
  • VienUppDa Public

    Scripts used by BIG-MAP WP2 teams in University of Uppsala and University of Vienna to generate reference quantum mechanical data.

    chemspacelab/VienUppDa’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Oct 31, 2024
  • mosaics Public

    Evolutionary Monte Carlo algorithm for optimization in chemical space.

    chemspacelab/mosaics’s past year of commit activity
    Python 12 MIT 1 0 0 Updated Apr 3, 2024
  • PROFESS Public Forked from EACcodes/PROFESS

    PRinceton Orbital-Free Electronic Structure Software

    chemspacelab/PROFESS’s past year of commit activity
    Fortran 0 15 0 0 Updated Oct 22, 2020
  • Enhanced-Hammett Public

    Library for using the enhanced Hammett model presented by Bragato, von Rudorff and von Lilienfeld

    chemspacelab/Enhanced-Hammett’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Jul 20, 2020
  • chemspacelab.github.io Public
    chemspacelab/chemspacelab.github.io’s past year of commit activity
    HTML 0 0 0 0 Updated Jun 10, 2020
  • meltingpoint Public
    chemspacelab/meltingpoint’s past year of commit activity
    Python 4 MIT 0 0 0 Updated May 28, 2020
  • chemspacelab Public
    chemspacelab/chemspacelab’s past year of commit activity
    HTML 0 0 0 0 Updated Feb 26, 2020
  • qm9-C7O2H10 Public

    Subset of QM9 with C7O2H10 stoichiometry in SDF format including torsion angles

    chemspacelab/qm9-C7O2H10’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 1, 2019
  • NCI-correction Public Forked from mezeipal/NCI-correction

    Universal non-covalent interaction correction to DFT from machine learning

    chemspacelab/NCI-correction’s past year of commit activity
    0 3 0 0 Updated Mar 21, 2019
  • clockwork Public Forked from ferchault/clockwork
    chemspacelab/clockwork’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Mar 3, 2019
View all repositories

Top languages

Loading…

Most used topics

Loading…