Popular repositories Loading

1. ProgrammingProjects ProgrammingProjects Public

   C++ Programming Tutorial in Chemistry

   457 142

2. pycc pycc Public

   PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.

   Python 46 15

3. lml lml Public

   Learning Machine Learning

   Jupyter Notebook 15 11

4. MLQM MLQM Public

   Machine-learning quantum mechanics

   Python 10 4

5. ccsd_lpno ccsd_lpno Public

   Repo for Psi4Numpy CCSD-LPNO Response property script

   Jupyter Notebook 5 1

6. ugacc ugacc Public

   PSI4 plugin for testing simple CC codes based on unitary-group formulation.

   C++ 2 2