montoyjh's Stars
cvxpy/cvxpy
A Python-embedded modeling language for convex optimization problems.
materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
materialsproject/fireworks
The Fireworks Workflow Management Repo.
SUNCAT-Center/catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening