AFLOW - automatic flow for materials discovery (Duke U)
Alexandria - materials database (Ruhr U Bochum)
Chemiscope - interactive structure/property explorer for materials and molecules (COSMO lab at EPFL)
FAIR-DI - Findable, Accessible, Interoperable, and Re-purposable Data Infrastructure
GNoME - Graph Networks for Materials Science (Google)
Materials Project (MIT, LBNL)
MolSSI Quantum Chemistry Archive
NIST Computational chemistry comparison and benchmark database
NOMAD Lab (part of FAIR-DI)
Open Quantum Materials Database
quantum-machine.org (A Tkachenko)
A Jain, K A Persson, G Ceder, Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases, APL Mater 4, 053102 (2016)
S Curtarolo, G L W Hart, M B Nardelli, N Mingo, S Sanvito, O Levy, The high-throughput highway to computational materials design, Nat Mater 12, 191 (2013)
C L Bird, J G Frey, Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences, CSR 42, 6754 (2013)