Built a CLIP‑style framework integrating RNA sequence, ligand SMILES (RiNALMo, SMI‑TED), and 3D structural features; achieved Test RMSE ~1.68 vs 1.85 benchmark. Includes structure‑based clustering (RNA3DB, RMalign) and pocket extraction (RDKit, Biopython, PyMOL).
Cross‑Domain Multimodal Contrastive Learning for RNA–Ligand Binding Affinity
Jan 1, 2024
min read