Data for: Automated Structure Elucidation at Human-Level Accuracy via Multitask Multimodal Language Model

This repository contains data accompanying the paper: "Automated Structure Elucidation at Human-Level Accuracy via Multitask Multimodal Language Model". It contains the experimental data collected as part of the paper as well as the pretrained checkpoint of the model."Experimental Data.zip": Contains 1H, 13C and IR spectra for 16 molecules measured, as well as a reference relating the IDs to the molecules.