Precomputed Embeddings for Spectraverse
收藏官方服务：
资源简介：
Precomputed embeddings for the Spectraverse dataset. Data is split in train/test set such that no molecules in the test as the same formulae than a molecule in the train test. Spectra are encoded with DreAMS Molecules are encoded with ChemBERTa (Derify/ChemBERTa_augmented_pubchem_13m)
提供机构：
Zenodo创建时间：
2026-03-28
