Skip to content
@ppqm

Psi Phi Quantum Mechanics

Open-source quantum chemisty, cheminfomatics and machine learning stuff

Popular repositories Loading

  1. ppqm ppqm Public

    Enable cheminformatics and quantum chemistry

    Python 72 18

  2. fitting fitting Public

    This repository contains datasets and helper scripts for reparametrization of SQM methods.

    Shell 3 1

  3. dataset-qm9 dataset-qm9 Public

    3

  4. ppqm_fortran ppqm_fortran Public

    Fortran 2

  5. dataset-proton-affinity dataset-proton-affinity Public

    Dataset for proton affinity of small molecules. Based on http://gdb.unibe.ch/downloads/

    Python 1 1

  6. hpce_utils hpce_utils Public

    Python 1

Repositories

Showing 8 of 8 repositories

Top languages

Loading…

Most used topics

Loading…