Harnessing the power of supercomputing and state-of-the-art methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials.

The NOMAD (Novel Materials Discovery) materials database is a free, open-source data management platform specifically designed for materials science. Its primary goal is to make research data FAIR-Findable, Accessible, Interoperable, and Reusable-addressing the challenge of heterogeneous and often unfindable data in the field.

The Alexandria Materials Database is an open-access resource containing extensive computational data on materials and molecules, primarily generated using density functional theory (DFT). It is designed to support research in materials science, quantum chemistry, and the development of machine learning models for predicting material properties.

The Computational Materials Repository (CMR) is a systematic, open-access database and software infrastructure designed to manage the large and rapidly growing volume of data generated by computational materials science, particularly from electronic-structure simulations and molecular dynamics calculations.

Materials Cloud is an open science platform designed to enable seamless sharing, archival, and dissemination of resources in computational materials science. It serves as a comprehensive ecosystem supporting the entire research life cycle, from learning and simulation to data curation and publication.

The AiiDA materials database is a curated collection of computational materials science data generated and managed using the AiiDA (Automated Interactive Infrastructure and Database for Computational Science) framework.

This database is designed to store not only the results of simulations and calculations, but also their full provenance-meaning every input, output, and intermediate step is tracked and preserved in a directed acyclic graph structure.