About

Spectrum Atlas is the public front door of one research pipeline: infrared spectra of molecules, corrected by a learned layer that is trained on coupled-cluster anchors, with the status and the provenance of every number. It is built as a capstone project and documented in the open.

Licences

Data: CC BY 4.0. Code: MIT. Reading, browsing and downloading need no account; until then, "notify me" on a molecule page opens a GitHub issue that you are subscribed to (no e-mail address is stored here); sign-in will be asked only of people who want to feed the pipeline (request a run, submit a molecule).

Cite

Cite the repository with its commit and the release name shown on the Status page; a Zenodo DOI for the corpus releases is being prepared and will replace this line.

Elsewhere

• The repository — plans, probes, modules, ledgers.
• The lab notebook — the story in plain English.
• NASA Ames PAHdb — the reference library this atlas complements and links to.

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