Popular repositories Loading

1. psi4 psi4 Public

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++

2. personal_scripts personal_scripts Public

   Forked from berquist/personal_scripts

   Personal scripts, mostly for computational chemistry analysis.

   Python

3. projects projects Public

   Forked from goelhardik/projects

   Projects. And then some.

   Python

4. psi4education psi4education Public

   Forked from Psi4Education/psi4education

   Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.

   Jupyter Notebook

5. schnetpack schnetpack Public

   Forked from atomistic-machine-learning/schnetpack

   SchNetPack - Deep Neural Networks for Atomistic Systems

   Python

6. lammps-mace-dispersion lammps-mace-dispersion Public

   Forked from ACEsuit/lammps

   Public development project of the LAMMPS MD software package

   C++