Tilde

Repositories

aiida-crystal-dft

AiiDA plugin for ab initio modeling suite CRYSTAL, developed in Turin University

quantum-chemistry aiida atomistic-simulations

Python MIT 0 2 9 0 Updated Jul 31, 2020

pycrystal

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

crystal first-principles crystallography gaussian computational-chemistry crystal-structure materials-science

Python 0 6 3 3 Updated Jul 28, 2020

tilde

Materials informatics framework for ab initio data repositories

materials vasp crystallography crystal-structure materials-science ab-initio materials-informatics

Python MIT 4 22 10 59 Updated Jul 28, 2020

docker-aiida-crystal

A docker-compose multicontainer AiiDA setup for CRYSTAL17 code (inspired by docker-aiida-qepw).

TSQL 0 0 0 0 Updated Jul 27, 2020

yascheduler

Yet another cloud computing scheduler for the first-principles simulations of crystals

materials-science ab-initio materials-informatics

Python 0 2 4 0 Updated Jul 26, 2020

optimade.science

A "sky-scanner" OPTIMADE browser-only GUI

materials-science materials-informatics materials-platform materials-genome materials-data computational-materials computational-materials-engineering

HTML MIT 1 1 0 0 Updated Jul 17, 2020

cifplayer

Minimalistic and fast HTML5 visualization of chemical structures in CIF and POSCAR formats

threejs cifs crystallography cif crystal-structure symmetry poscar

HTML MIT 1 6 6 0 Updated Jul 17, 2020

awesome-materials-informatics

Curated list of known efforts in materials informatics

data-science awesome materials chemistry crystallography awesome-list crystal-structure

20 71 0 0 Updated Jun 19, 2020

optimade.providers

Curated list of the OPTIMADE providers

0 1 0 0 Updated Jun 10, 2020

quantum_esperanto

Very fast XML parser for DFT outputs produced with the VASP, Vienna Ab initio Simulation Package

material-design materials dft vasp materials-science ab-initio materials-informatics

Python MIT 0 5 0 0 Updated Dec 21, 2019

berlinium

Websockets GUI for the Tilde materials simulations database

HTML MIT 0 1 7 0 Updated Aug 27, 2019

simple-k-means-visualization

K-means clustering visualization for ab initio materials data

HTML 0 2 0 0 Updated Feb 9, 2016

Materials-Databases

Forked from blaiszik/Materials-Databases

10 1 0 0 Updated Jul 30, 2015