CECAM (Centre Européen de Calcul Atomique et Moléculaire)

PSI-K Electronic Structure Calculations Community

European Theoretical Spectroscopy Facility

European Materials Modeling Council

Computational Chemistry List

Scientific Computing World

SIAM (Society for Industrial and Applied Mathematics)

European Centres of Excellence for computing applications

EuroHPC Joint Undertaking

The AIIDA Project

AFLOW distributed materials property repository

The Materials Project

Materials Cloud

The Open Quantum Materials Database

PubChem Chemical Data Repository

The Protein Data Bank

Open Babel: The Open Source Chemistry Toolbox
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NanoHUB

Materials Genome Initiative

Atomic Simulation Environment

The Cambridge Crystallographic Data Centre (CCDC)

ICSD Crystal Structure Database

NAFEMS: International Association Engineering Modelling

iMechanica community for mechanical engineers

TOTAL MATERIA materials database

List of quantum chemistry and solid-state physics software

List of software for molecular mechanics modeling

List of molecular graphics software

List of numerical-analysis software

List of numerical libraries

List of Computer-Aided Design (CAD) Software

List of Finite Element Analysis Software

List of Computational Fluid Dynamics Software