Pinned Repositories
awesome-materials-informatics
Curated list of known efforts in materials informatics, i.e. in modern materials science
cifplayer
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
metis-client
Metis infrastructure API client in Python
optimade-client
Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers
optimade.science
A "sky-scanner" Optimade browser-only GUI
pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
pyfactxx
Python bindings for upgraded FaCT++ description logic reasoner
quantum_esperanto
Very fast parser for the XML logs produced with the VASP, Vienna Ab initio Simulation Package
tilde
Materials informatics framework for ab initio data repositories
yascheduler
Yet another cloud computing scheduler for the high-throughput cloud scientific simulations