Popular repositories Loading

1. ppqm ppqm Public

   Enable cheminformatics and quantum chemistry

   Python 78 17

2. fitting fitting Public

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

   Shell 3 1

3. ppqm_fortran ppqm_fortran Public

   Fortran 2

4. dataset-qm9 dataset-qm9 Public

   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 archive

   Python 1 1