Integrating Predictive and Generative Models

implementationChallenge

Prompt Content

Implement the core logic for your multi-agent system. This includes integrating a generative model (e.g., based on RDKit/DeepChem with a reinforcement learning loop) for molecular modifications and predictive models for protein-ligand binding affinity and key ADMET properties. Detail how agents will trigger these models and interpret their outputs to guide the next optimization step. Provide an example of an agent's internal reasoning loop.

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