jboes's Stars
rawpython/remi
Python REMote Interface library. Platform independent. In about 100 Kbytes, perfect for your diet.
SUNCAT-Center/CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
jparkhill/TensorMol
Tensorflow + Molecules = TensorMol
google/differentiable-atomistic-potentials
Automatically differentiable atomistic potentials for molecular simulations
SUNCAT-Center/CatKit
General purpose tools for high-throughput catalysis
jkitchin/vasp
New ASE compliant Python interface to VASP
jkitchin/techela-emacs
Technology enhanced learning and assessment
jkitchin/scimax
An emacs starterkit for scientists and engineers
huyng/bashmarks
Directory bookmarks for the shell
cxreg/smartcd
Alter your bash (or zsh) environment as you cd
jkitchin/jasp
python enhancements of ase.calculators.vasp
jkitchin/python-reaxff
python wrappers for generating training files for the ReaxFF code