Cresset-BMD Flare

Cresset-BMD Flare is a comprehensive drug design platform including both structure-based and ligand-based methods. Flare 12 adds AI-based design and assistance, more flexible docking and compute workflows, better scoring and synthesis indicators, improved performance at scale, and significant upgrades to FEP and dynamics tools, all to accelerate molecular design and analysis. New AI-Powered Tools MolGenAI – Generative Chemistry: AI-driven molecule generation using REINVENT4-based technology (trained on ChEMBL and other datasets). Users can focus the generation on specific chemical space via transfer learning — refining models using example compounds. Integrates with the Radial Plot scoring to filter generated molecules based on target properties. Flare AI Assistant: Chat model: answers questions about features, workflows, and underlying scientific methods. Code Assistant (Copilot): helps