DrugHarness: An Evolvable Agent Harness for Computational Drug Discovery
Presents novel ML architecture for scientific agents with experimental validation in drug discovery workflows.
AI Summary
Researchers introduce DrugHarness, an evolvable system that improves computational drug discovery by inducing conditional skills from execution trajectories.
Excerpt
Computational drug discovery requires agents to compose scientific operations and adapt to changing evidence and constraints. Here we introduce DrugHarness, an evolvable agent harness coupling composable scientific execution with conditional skill induction. Its environment integrates over 80 scientific operations, biomedical resources and task-specific code, preserving associations among candidates, results and artifacts. From execution trajectories and outcome feedback, DrugHarness induces act
