2 citations · 3 across the 4 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cs.LG2023
Distributed Reinforcement Learning for Molecular Design: Antioxidant case
Huanyi Qin, Denis Akhiyarov, Sophie Loehle +2
Deep reinforcement learning has successfully been applied for molecular discovery as shown by the Molecule Deep Q-network (MolDQN) algorithm. This algorithm has challenges when app…
physics.chem-ph2023★ 2 cited
STRIDE: Structure-guided Generation for Inverse Design of Molecules
Shehtab Zaman, Denis Akhiyarov, Mauricio Araya-Polo +1
Machine learning and especially deep learning has had an increasing impact on molecule and materials design. In particular, given the growing access to an abundance of high-quality…