Chain of Thought
A prompt can start a run. The live canvas is the investigation. An agent calls scientific tools. Results land on an execution graph as chemistry, structures, sequences and data grids.
The architecture is real front to back: agent loop, MCP servers, containerised services, live docking. The run in the video is scripted on synthetic data.
Design decisions
Context and consequences for a few choices in the prototype. Personal work only. Not a product plan and not employer systems.
Execution graph is primary state
The graph is the investigation. Nodes hold typed references. The model requests tools; it does not carry science objects as prompt payload.
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