Package list (alphabetically ordered by provider ID)
aflow: AFLOW
Automatic FLOW (AFLOW) database for computational materials science
- Full details for this provider
- Project homepage: http://aflow.org
alexandria: Alexandria
A collection of databases from the group of Prof Miguel A. L. Marques at Ruhr University Bochum.
- Full details for this provider
- Project homepage: http://tddft.org/bmg
cmr: Computational materials repository (CMR)
CMR is a collection of materials repositories from different projects such as C2DB, QPOD and many more
- Full details for this provider
- Project homepage: https://cmr.fysik.dtu.dk
cod: Crystallography Open Database
Open-access collection of crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers
- Full details for this provider
- Project homepage: https://www.crystallography.net/cod
jarvis: Joint Automated Repository for Various Integrated Simulations (JARVIS)
JARVIS is a repository designed to automate materials discovery using classical force-field, density functional theory, machine learning calculations and experiments.
- Full details for this provider
- Project homepage: https://jarvis.nist.gov
matcloud: MatCloud
A high-throughput computing platform integrating data, simulation and supercomputing.
- Full details for this provider
- Project homepage: http://matcloud.cnic.cn
mcloud: Materials Cloud
A platform for Open Science built for seamless sharing of resources in computational materials science
- Full details for this provider
- Project homepage: https://www.materialscloud.org
mp: The Materials Project
An open database of computed materials properties to accelerate materials discovery and design
- Full details for this provider
- Project homepage: https://www.materialsproject.org
mpdd: Material-Property-Descriptor Database
Material-Property-Descriptor Database (MPDD) of atomic structures. Optimized for the high-throughput deployment of material featurizers and ML models. Maintained by Phases Research Lab (phaseslab.org) at The Pennsylvania State University
- Full details for this provider
- Project homepage: https://www.phaseslab.com/mpdd
mpds: Materials Platform for Data Science
A highly curated Pauling File dataset based on ~0.5M publications and backing up Springer Materials, ICDD PDF, ASM APD, MedeA, Pearson Crystal Data, AtomWork Advanced, etc.
- Full details for this provider
- Project homepage: https://mpds.io
nmd: novel materials discovery (NOMAD)
A FAIR data sharing platform for materials science data
- Full details for this provider
- Project homepage: https://nomad-lab.eu
odbx: open database of xtals
A public database of crystal structures mostly derived from ab initio structure prediction from the group of Dr Andrew Morris at the University of Birmingham https://ajm143.github.io
- Full details for this provider
- Project homepage: https://odbx.science
omdb: Open Materials Database
The Open Materials Database (omdb) is a database of materials properties maintained by the developers of the High-Throughput Toolkit (httk). It enables easy access to useful materials data, in particular via programmatic interaction using this toolkit.
- Full details for this provider
- Project homepage: http://openmaterialsdb.se
oqmd: The Open Quantum Materials Database (OQMD)
The OQMD is a database of DFT calculated thermodynamic and structural properties of materials
- Full details for this provider
- Project homepage: http://oqmd.org
tcod: Theoretical Crystallography Open Database
Open-access collection of theoretically calculated or refined crystal structures of organic, inorganic, metal-organic compounds and minerals, excluding biopolymers
- Full details for this provider
- Project homepage: https://www.crystallography.net/tcod
twodmatpedia: 2DMatpedia
2DMatpedia, an open computational database of two-dimensional materials from top-down and bottom-up approaches
- Full details for this provider
- Project homepage: http://2dmatpedia.org
aiida:
AiiDA
Automated Interactive Infrastructure and Database for Computational Science (AiiDA)
- Full details for this provider
- Project homepage: http://www.aiida.net
ccpnc:
CCP-NC Database
The Collaborative Computational Project for NMR Crystallography (CCP-NC) Database hosts calculated NMR parameters submitted by users in the magres format.
- Full details for this provider
- Project homepage: https://www.ccpnc.ac.uk/database
httk:
The High-Throughput Toolkit
Prefix for implementation-specific identifiers used in the httk implementation at http://httk.org/
necro:
NecrOPTIMADE
A provider of ephemeral OPTIMADE APIs for static or archived data.
- Full details for this provider
- Project homepage: https://github.com/ml-evs/necroptimade
optimade:
OPTIMADE implementations and libraries
Prefix for implementation-specific identifiers used in API implementations and libraries provided at https://github.com/Materials-Consortia
- Full details for this provider
- Project homepage: https://www.optimade.org