BioinformaticsbioRxivPreprint
LEN-Seek: Fast and scalable ligand binding-site similarity search in the latent space of an SE(3)-invariant graph VAE
Kyunghwan Yeo, Dongwoo Kim, sim jaemin, Juyong Lee
LEN-Seek is a method for ligand binding-site similarity search using a graph VAE that encodes structural information into a latent space, achieving faster and more scalable results than existing methods.
DOI 10.64898/2026.08.14.744759