IRexp: experimental infrared band lists from open literature (commercial redistributable pool)
收藏资源简介:
Redistributable experimental IR band lists (cm−1 peak positions), not absorbance traces, extracted from the PMC Open Access Subset and Chemotion. This version archives Hugging Face ilkhamfy/IRexp revision 4312254c279300f881ad12671476e877027ed3da (commercial DoR n = 88,519). It includes the SMILES / has_structure flag fix (six commercial rows with nonempty SMILES now have has_structure=true, matching Table 1). Commercial DoR n is unchanged from the prior Hub pin fc238e3 / Zenodo 10.5281/zenodo.23021932. This CC-BY-4.0 archive contains only the commercial redistributable pool: data/irexp_commercial.jsonl.gz, irexp_resolved_commercial.jsonl.gz, train_no_bench_commercial.jsonl.gz, build/patch metadata, NOTICE / licence notes, scripts/release_check.py, and SHA256SUMS. ShareAlike (CC-BY-SA), non-commercial (NC*), and ND (irexp_other.jsonl.gz, n=5) companions remain on Hugging Face under their own licences and are not packaged in this deposit.



