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aiida-crystal-dft

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

aiida-dummy

AiiDA plugin for Dummy engine in Yascheduler

awesome-materials-informatics

Curated list of known efforts in materials informatics = modern materials science

berlinium

Websockets GUI for the Tilde materials simulations database

chemdoodle-optimade-app

Example Optimade integration of the iChemLabs visualizer

cifplayer

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

docker-aiida-crystal

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

dummy-engine

Sample scientific simulation engine working as a black box

jsmol-optimade-app

Example Optimade integration of the JSMol visualizer

materials-databases

metis-backend

Scientific server implementation for the cloud environment

metis-bff

Backend-for-frontend for Metis

metis-client

Metis infrastructure API client in Python

metis-gui

Modular standalone fat-client GUI for X-ray diffraction data simulations, analysis, and sharing

metis.science

Metis promo website built on the Metis GUI kit *svelte-spectre*

ml-playground

ml-selection

optimade-client

Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers

optimade.providers

Curated list of the OPTIMADE providers

optimade.science

A "sky-scanner" Optimade browser-only GUI

owl2vec-star

Embedding OWL ontologies

pycrystal

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

pyfactxx

Python bindings for upgraded FaCT++ description logic reasoner

pytopas

Bruker's TOPAS X-ray diffraction calculations parser

quantum_esperanto

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

simple-k-means-visualization

K-means clustering visualization for ab initio materials data

sql_visualization

Generate entity-relationship diagrams from PostgreSQL by PlantUML, DBML-renderer, ERAlchemy, etc.

svelte-spectre

UI-kit based on *spectre.css* and powered by *svelte*

svelte-spectre-storybook

Demo website of the Metis GUI kit *svelte-spectre*

tilde

Materials informatics framework for ab initio data repositories