2 papers
q-bio.QM2025
DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning
Shreyas Vinaya Sathyanarayana, Sharanabasava D. Hiremath, Rahil Shah +6
The synthesis of complex natural products remains one of the grand challenges of organic chemistry. We present DeepRetro, a major advancement in computational retrosynthesis that e…
cs.LG2024
Open source Differentiable ODE Solving Infrastructure
Rakshit Kr. Singh, Aaron Rock Menezes, Rida Irfan +1
Ordinary Differential Equations (ODEs) are widely used in physics, chemistry, and biology to model dynamic systems, including reaction kinetics, population dynamics, and biological…