Organic Synthesis Search lets users browse chemical transformations by the desired bond formation.
Basis Set Exchange
The Basis Set Exchange provides downloadable basis sets for quantum chemistry in formats including NWChem and Gaussian.
About Basis Set Exchange
The Basis Set Exchange provides downloadable basis sets for quantum chemistry in formats including NWChem and Gaussian. Users can select sets, view details such as description, version, last update, role, family, function types, notes, and references, and download individual sets or all sets at once. Some elements may not be writable in a selected format.
Key features
- Downloadable basis sets for quantum chemistry calculations
- Download in formats including NWChem and Gaussian
- Bulk download option for all basis sets
- Basis set details including version, update date, and family
- References listed for selected basis sets
- Error reporting and contributions via GitHub or email
Best for: Researchers and students doing quantum chemistry calculations that require basis set files.
Good for
- Includes version, last update, and reference information for selected sets
- Provides bulk download of all basis sets
- Lists contact options for corrections and contributions
Watch out for
- Some basis set content may not be writable in a selected format
Basis Set Exchange at a glance
- Website
- basissetexchange.org
- Category
- Research & Data › Open Data & Datasets
- Type
- Website
- Pricing
- Not confirmed. Check the site
- Platforms
- Web
- Open source
- Not stated
- Last checked
- Oct 5, 2026 · Online when checked
- Listed
- Oct 5, 2026
Basis Set Exchange alternatives
Tools and sites you could use instead, ranked by how closely they match.
The Radiocarbon Palaeolithic Europe database provides downloadable files in spreadsheet and map formats.
The Cambridge Structural Database contains curated crystal-structure data for chemistry research.
GeneWeaver provides tools to manage, search, curate, and analyze gene sets and related projects.
Hadoop Illuminated includes a chapter listing publicly available big data sets.
Italy’s National Oceanographic Data Centre is the national reference for the UNESCO oceanographic data exchange system.
Popular in Open Data & Datasets
Well-known listings from the same topic.
data.worlddata.worldNASA APIapi.nasa.govState of Hawaiidata.hawaii.govCosmoSimcosmosim.orgdata.meudon.frdata.meudon.frESS-DIVEess-dive.lbl.gov
Basis Set Exchange FAQ
How do I report a possible error or suggest a basis set addition?
Use GitHub issues for the BSE library project or email [email protected].
How should I cite use of the Basis Set Exchange software?
Cite Pritchard et al., A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community, J. Chem. Inf. Model. 2019, 59(11), 4814-4820, doi:10.1021/acs.jcim.9b00725.
Is something wrong or out of date?
Tell us and an editor will check it.
Own this website?
Claim this listing
Claim the listing and suggest updates yourself. An editor checks every claim first.