Delta-ML IR Spectroscopist: data, model weights, and result files
收藏官方服务：
资源简介：
Paired PBEh-3c and ωB97X-D3/def2-TZVPD infrared spectra, molecular structures, exact split assignments and exclusions, six trained Delta-ML model checkpoints, saved test predictions, final configurations, and result-source files for the associated JCIM manuscript.
提供机构：
Zenodo创建时间：
2026-08-03
