2 papers
cs.LG2025
GP-MoLFormer-Sim: Test Time Molecular Optimization through Contextual Similarity Guidance
Jiri Navratil, Jarret Ross, Payel Das +4
The ability to design molecules while preserving similarity to a target molecule and/or property is crucial for various applications in drug discovery, chemical design, and biology…
q-bio.BM2025
GP-MoLFormer: A Foundation Model For Molecular Generation
Jerret Ross, Brian Belgodere, Samuel C. Hoffman +4
Transformer-based models trained on large and general purpose datasets consisting of molecular strings have recently emerged as a powerful tool for successfully modeling various st…