Search Results for author:
Found 2 papers, 1 papers with code
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction
A rational design of new therapeutic drugs aims to find a molecular structure with desired biological functionality, e. g., an ability to activate or suppress a specific protein via binding to it.
Gradual Optimization Learning for Conformational Energy Minimization
Our results demonstrate that the neural network trained with GOLF performs on par with the oracle on a benchmark of diverse drug-like molecules using $50$x less additional data.
Cannot find the paper you are looking for? You can
Submit a new open access paper.
