HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery

no code implementations • 22 Sep 2023 • Alvaro Prat, Hisham Abdel Aty, Gintautas Kamuntavičius, Tanya Paquet, Povilas Norvaišas, Piero Gasparotto, Roy Tal

We propose HydraScreen, a deep-learning approach that aims to provide a framework for more robust machine-learning-accelerated drug discovery.

Drug Discovery Pose Prediction

PERIL: Probabilistic Embeddings for hybrid Meta-Reinforcement and Imitation Learning

no code implementations • 1 Jan 2021 • Alvaro Prat, Edward Johns

Imitation learning is a natural way for a human to describe a task to an agent, and it can be combined with reinforcement learning to enable the agent to solve that task through exploration.

Imitation Learning Meta Reinforcement Learning +2