2 papers
cs.CE2025
A User-Tunable Machine Learning Framework for Step-Wise Synthesis Planning
Shivesh Prakash, Nandan Patel, Hans-Arno Jacobsen +1
We introduce MHNpath, a machine learning-driven retrosynthetic tool designed for computer-aided synthesis planning. Leveraging modern Hopfield networks and novel comparative metric…
q-bio.QM2024
Efficient Training of Transformers for Molecule Property Prediction on Small-scale Datasets
Shivesh Prakash
The blood-brain barrier (BBB) serves as a protective barrier that separates the brain from the circulatory system, regulating the passage of substances into the central nervous sys…