jboes

jboes's Stars

• rawpython/remi

  Python REMote Interface library. Platform independent. In about 100 Kbytes, perfect for your diet.

  Language:Python3.5k401

• SUNCAT-Center/CatLearn

  A machine learning environment for atomic-scale modeling in surface science and catalysis.

  Language:Python10061

• jparkhill/TensorMol

  Tensorflow + Molecules = TensorMol

  Language:Python27075

• google/differentiable-atomistic-potentials

  Automatically differentiable atomistic potentials for molecular simulations

  Language:Python5411

• SUNCAT-Center/CatKit

  General purpose tools for high-throughput catalysis

  Language:Python8350

• jkitchin/vasp

  New ASE compliant Python interface to VASP

  Language:Python12158

• jkitchin/techela-emacs

  Technology enhanced learning and assessment

  Language:Emacs Lisp181

• jkitchin/scimax

  An emacs starterkit for scientists and engineers

  Language:Emacs Lisp1k120

• huyng/bashmarks

  Directory bookmarks for the shell

  Language:Shell1.9k291

• cxreg/smartcd

  Alter your bash (or zsh) environment as you cd

  Language:Shell68155

• jkitchin/jasp

  python enhancements of ase.calculators.vasp

  Language:Python2713

• jkitchin/python-reaxff

  python wrappers for generating training files for the ReaxFF code

  Language:Python2311