no code implementations • 31 May 2024 • A N M Nafiz Abeer, Sanket Jantre, Nathan M Urban, Byung-Jun Yoon
A critical challenge for pre-trained generative molecular design (GMD) models is to fine-tune them to be better suited for downstream design tasks aimed at optimizing specific molecular properties.
no code implementations • 30 Apr 2024 • A N M Nafiz Abeer, Sanket Jantre, Nathan M Urban, Byung-Jun Yoon
Deep generative models have been accelerating the inverse design process in material and drug design.