🤖 AI/ML Drug Discovery Infrastructure

REINVENT 2D: Policy-Gradient Molecule GraphNew📱Watch a REINVENT-style policy learn to grow drug-like molecules token by token on a… REINVENT: Policy-Gradient Molecule GenerationNew📱Watch a REINVENT-style policy learn to grow drug-like molecules token by token in 3D, scored… Active Learning Molecule Selection LoopNew📱An iterative loop where the model selects the most informative molecules for… Diffusion Model Molecule GenerationNew📱This simulation employs the diffusion noise suppression method (similar to… RL Retrosynthesis Route PlannerNew📱This simulation uses reinforcement learning to plan the optimal synthetic route from product… Federated Learning Across Pharma PartnersNew📱This simulation enables multiple pharmaceutical companies to train machine learning models… LLM-Assisted Literature Mining for Target IDNew📱This simulation leverages language models to automatically analyze millions of scientific…