Repositories list

• optimade-client

  Public

  tilde-lab/optimade-client’s past year of commit activity
  Isomorphic TypeScript / JavaScript client to aggregate all the official Optimade providers

  materialschemoinformaticsmaterials-science+ 9

  materialschemoinformaticsmaterials-sciencematerials-informaticsmaterials-platformmaterials-discoveriesmaterials-designmaterials-genomeoptimadematerials-discovery+ 2

  TypeScript

  •

  MIT License

  •11 fork•55 stars•44 issues•33 pull requests•Updated Apr 13, 2026Apr 13, 2026

• yascheduler

  Public

  tilde-lab/yascheduler’s past year of commit activity
  Yet another cloud computing scheduler for the high-throughput cloud scientific simulations

  pythonazurescheduler+ 10

  pythonazureschedulermaterials-scienceab-initiomaterials-informaticsupscalehetznerqueuesazure-cloud-services+ 3

  Python

  •

  MIT License

  •55 forks•55 stars•2121 issues•11 pull request•Updated Apr 13, 2026Apr 13, 2026

• pyfactxx

  Public

  tilde-lab/pyfactxx’s past year of commit activity
  Python bindings for upgraded FaCT++ description logic reasoner

  semantic-webowlontology+ 7

  semantic-webowlontologyrdflibontologiesreasonerdescription-logicsowl2owlapireasoner-benchmark

  Java

  •44 forks•3030 stars•11 issue•55 pull requests•Updated Apr 2, 2026Apr 2, 2026

• aiida-crystal-dft

  Public

  tilde-lab/aiida-crystal-dft’s past year of commit activity
  AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University

  quantum-chemistryaiidaatomistic-simulations+ 1

  quantum-chemistryaiidaatomistic-simulationsaiida-plugin

  Python

  •

  MIT License

  •44 forks•33 stars•1717 issues•11 pull request•Updated Mar 25, 2026Mar 25, 2026

• awesome-materials-informatics

  Public

  tilde-lab/awesome-materials-informatics’s past year of commit activity
  Curated list of known efforts in materials informatics, i.e. in modern materials science

  data-scienceawesomematerials+ 17

  data-scienceawesomematerialschemistrycrystallographyawesome-listcrystal-structurematerials-scienceab-initiomaterials-informatics+ 10

  105105 forks•503503 stars•00 issues•00 pull requests•Updated Mar 24, 2026Mar 24, 2026

• ml-selection

  Public

  tilde-lab/ml-selection’s past year of commit activity
  Python

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Feb 24, 2026Feb 24, 2026

• svelte-spectre-storybook

  Public

  tilde-lab/svelte-spectre-storybook’s past year of commit activity
  Demo website of our GUI kit *svelte-spectre*

  11 fork•00 stars•00 issues•00 pull requests•Updated Jan 10, 2026Jan 10, 2026

• cifplayer

  Public

  tilde-lab/cifplayer’s past year of commit activity
  Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats

  threejscifscrystallography+ 5

  threejscifscrystallographycifcrystal-structuresymmetryposcaroptimade

  TypeScript

  •

  MIT License

  •99 forks•2828 stars•66 issues•22 pull requests•Updated Jan 9, 2026Jan 9, 2026

• optimade.science

  Public

  tilde-lab/optimade.science’s past year of commit activity
  A "sky-scanner" Optimade browser-only GUI

  materials-sciencematerials-informaticsmaterials-platform+ 5

  materials-sciencematerials-informaticsmaterials-platformmaterials-genomematerials-datacomputational-materialscomputational-materials-engineeringoptimade

  Svelte

  •

  MIT License

  •55 forks•1010 stars•77 issues•00 pull requests•Updated Nov 4, 2025Nov 4, 2025

• pycrystal

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

  crystalfirst-principlescrystallography+ 11

  crystalfirst-principlescrystallographygaussiancomputational-chemistrycrystal-structurematerials-scienceatomistic-simulationsabinitio-simulationsabinitio+ 4

  Python

  •

  Other

  •11 fork•1111 stars•66 issues•00 pull requests•Updated Aug 28, 2025Aug 28, 2025

• svelte-spectre

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

  Svelte

  •

  BSD 3-Clause "New" or "Revised" License

  •55 forks•00 stars•00 issues•00 pull requests•Updated Jul 8, 2025Jul 8, 2025

• aiida-dummy

  Public
  AiiDA plugin for Dummy engine in Yascheduler

  aiidaaiida-pluginaiida-plugins+ 1

  aiidaaiida-pluginaiida-pluginsaiida-framework

  Python

  •

  MIT License

  •33 forks•11 star•00 issues•00 pull requests•Updated Jun 4, 2025Jun 4, 2025

• metis-bff

  Public archive
  Backend-for-frontend for Metis

  JavaScript

  •

  BSD 3-Clause "New" or "Revised" License

  •55 forks•00 stars•00 issues•00 pull requests•Updated Jun 3, 2025Jun 3, 2025

• metis-backend

  Public archive
  Scientific server implementation for the cloud environment

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •44 forks•00 stars•00 issues•00 pull requests•Updated Jun 3, 2025Jun 3, 2025

• metis-gui

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

  Svelte

  •

  BSD 3-Clause "New" or "Revised" License

  •55 forks•00 stars•00 issues•00 pull requests•Updated Jun 3, 2025Jun 3, 2025

• sql_visualization

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

  Python

  •11 fork•22 stars•00 issues•00 pull requests•Updated May 19, 2025May 19, 2025

• ml-playground

  Public archive
  Jupyter Notebook

  •

  MIT License

  •00 forks•33 stars•11 issue•00 pull requests•Updated Jan 17, 2025Jan 17, 2025

• metis-client

  Public archive
  Metis infrastructure API client in Python

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •11 fork•33 stars•33 issues•11 pull request•Updated Jan 14, 2025Jan 14, 2025

• chemdoodle-optimade-app

  Public
  Example Optimade integration of the iChemLabs visualizer

  cifchemdoodleoptimade+ 1

  cifchemdoodleoptimadeoptimade-api

  JavaScript

  •

  GNU General Public License v3.0

  •00 forks•22 stars•00 issues•00 pull requests•Updated Jul 22, 2024Jul 22, 2024

• pytopas

  Public archive
  Bruker's TOPAS X-ray diffraction calculations parser

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •22 forks•00 stars•00 issues•00 pull requests•Updated Apr 16, 2024Apr 16, 2024

• OWL2Vec-Star

  Public
  Embedding OWL ontologies

  Python

  •

  Apache License 2.0

  •3434 forks•00 stars•00 issues•00 pull requests•Updated Apr 2, 2024Apr 2, 2024

• quantum_esperanto

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

  material-designmaterialsdft+ 5

  material-designmaterialsdftvaspmaterials-scienceab-initiomaterials-informaticsxml-files

  Cython

  •

  MIT License

  •11 fork•55 stars•88 issues•00 pull requests•Updated Feb 28, 2024Feb 28, 2024

• dummy-engine

  Public
  Sample scientific simulation engine working as a black box

  cplusplusdummy

  cplusplusdummy

  C++

  •

  BSD 3-Clause "New" or "Revised" License

  •11 fork•00 stars•11 issue•22 pull requests•Updated Oct 11, 2023Oct 11, 2023

• metis.science

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

  Svelte

  •

  BSD 3-Clause "New" or "Revised" License

  •22 forks•00 stars•00 issues•1010 pull requests•Updated Sep 23, 2023Sep 23, 2023

• tilde

  Public archive

  tilde-lab/tilde’s past year of commit activity
  Materials informatics framework for ab initio data repositories

  materialsvaspcrystallography+ 5

  materialsvaspcrystallographycrystal-structurematerials-scienceab-initiomaterials-informaticsquantum-espresso

  Python

  •

  MIT License

  •44 forks•1818 stars•00 issues•00 pull requests•Updated Aug 16, 2022Aug 16, 2022

• jsmol-optimade-app

  Public
  Example Optimade integration of the JSMol visualizer

  cifjmoljsmol+ 2

  cifjmoljsmoloptimadeoptimade-api

  JavaScript

  •

  GNU Lesser General Public License v3.0

  •00 forks•11 star•00 issues•00 pull requests•Updated May 25, 2022May 25, 2022

• docker-aiida-crystal

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

  TSQL

  •00 forks•00 stars•00 issues•00 pull requests•Updated Jul 27, 2020Jul 27, 2020

• optimade.providers

  Public
  Curated list of the OPTIMADE providers

  00 forks•11 star•00 issues•00 pull requests•Updated Jun 10, 2020Jun 10, 2020

• berlinium

  Public archive
  Websockets GUI for the Tilde materials simulations database

  HTML

  •

  MIT License

  •00 forks•11 star•00 issues•00 pull requests•Updated Aug 27, 2019Aug 27, 2019

• simple-k-means-visualization

  Public archive
  K-means clustering visualization for ab initio materials data

  HTML

  •00 forks•22 stars•00 issues•00 pull requests•Updated Feb 9, 2016Feb 9, 2016