most citedMolecular Geometry-aware Transformer for accurate 3D Atomic System modeling

3 citations · 3 across the 3 of their papers we have counts for

collaborators
Showing cs.LGShow all

1 paper · 1 filter

cs.LG2023

DiffDTM: A conditional structure-free framework for bioactive molecules generation targeted for dual proteins

Lei Huang, Zheng Yuan, Huihui Yan +9

Advances in deep generative models shed light on de novo molecule generation with desired properties. However, molecule generation targeted for dual protein targets still faces for…