Hao Li

ECDFormer. 【Nature Computational Science 2025🔥】Deep peak property learning for efficient chiral molecules ECD spectra prediction

ChemCraft. Official Implementation of "Agentic reinforcement learning empowers next-generation chemical language models for molecular design and synthesis"

ChemCoTBench.github.io. ChemCoTBench and ChemCoTDataset

mass2mol_unify. The unified representation learning and prediction method for Mass spectra and corresponding Molecules