01
Agent
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Click the dark cells
Three projects that span the spectrum — agents, simulation, and the place where they meet.
A small selection. The full archive lives below, organized by folder.
Agentic AI system for autonomous spectroscopy analysis with CLI, GUI, and MCP interfaces. Features multi-format spectral parsers (JCAMP-DX, Bruker FID, CSV), an ensemble scoring pipeline combining 4 independent ML evidence streams, and a full test suite (34 unit tests). Pip-installable: pip install speqtro.
Persistent multi-agent system for financial research, where work compounds across sessions in dedicated sandbox workspaces, each with an agent.md memory file. Uses Programmatic Tool Calling (PTC) — the agent writes code to process market data locally instead of flooding LLM context. Ships 23 pre-built finance skills (DCF, earnings, comps, morning notes), a parallel subagent swarm with live steering, multi-provider LLM failover, and per-workspace encrypted secret vaults.
Large-scale molecular dynamics simulations on HPC studying structural heterogeneity in supercooled water. Automated pipelines for preprocessing, feature scaling, and visualization of high-dimensional order-parameter datasets. Applied HDBSCAN and GMM clustering to characterize distinct structural motifs, validated against the two-state liquid framework (Shi & Tanaka, JACS 2020).
Six folders, twenty-odd projects. Click a tab to open it — atoms, agents, photos, and what's in between.