Pinned Loading

1. ASE_ANI ASE_ANI Public

   Forked from isayev/ASE_ANI

   ANI-1 neural net potential with python interface (ASE)

   Python

2. data_engineering_sample data_engineering_sample Public

   HCL

3. elba-lammps elba-lammps Public

   Forked from orsim/elba-lammps

   Automatically exported from code.google.com/p/elba-lammps

   Python

4. FerrumMD FerrumMD Public

   Rust

5. pycgtool pycgtool Public

   Forked from jag1g13/pycgtool

   Python tool for performing coarse-grain mapping and model generation from atomistic molecular dynamics trajectories.

   Python

6. SCF_Szabo SCF_Szabo Public

   Forked from pm133/SCF_Szabo

   This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A. Szabo and N. Ostlund. I have included a built executable "s…

   C