Pinned Repositories
density_mace
MACE for electronic structure
e3nn
e3nn_tutorial
repository and website for tutorials on 3d Euclidean equivariant neural networks
equivariant_electron_density
Generate and predict molecular electron densities with Euclidean Neural Networks
integrate
planets
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
questions
questions directory from SWC
tinker
TINKER Software Tools for Molecular Design
Tinker-OpenMM
OpenMM is a toolkit for molecular simulation using high performance GPU code.
JoshRackers's Repositories
JoshRackers/equivariant_electron_density
Generate and predict molecular electron densities with Euclidean Neural Networks
JoshRackers/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
JoshRackers/tinker
TINKER Software Tools for Molecular Design
JoshRackers/density_mace
MACE for electronic structure
JoshRackers/e3nn
JoshRackers/e3nn_tutorial
repository and website for tutorials on 3d Euclidean equivariant neural networks
JoshRackers/integrate
JoshRackers/planets
JoshRackers/questions
questions directory from SWC
JoshRackers/Tinker-OpenMM
OpenMM is a toolkit for molecular simulation using high performance GPU code.
JoshRackers/Spoon-Knife
This repo is for demonstration purposes only.