Datasets for MulitModalTransformer project
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/13221540
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资源简介：
This folder contains all the necessary data related to the publication:
"Enhancing Molecular Structure Elucidation with the MultiModalTransformer: Integrating Spectroscopic Modalities and Iterative Improvement Cycles "
which includes the simulated data of:
the Github accompanying libraries for running the code (SGNN, Mol2Mol and ChemProp-IR)
Pre-trained models
ZINC 4M
PubChem 1.5M dataset
ACD / our simulated data of the experimental molecules
the peak-picked data of the experimental molecules
Experimental results
创建时间：
2024-11-12
