NIAID-BRCs AI Codeathon 2.0 · September 16–18, 2026 · Argonne National Laboratory
Automating functional interpretation of poorly characterized pathogen proteins by combining sequence, structure, binding databases, and literature evidence.
Project page: https://niaid-brc-codeathons.github.io/projects/structure-to-function/
This is a draft pitch, not a plan.
What follows is a one-slide proposal from the organizing team. It exists to seed a team, not to constrain one. Scope, methods, target organism, and success criteria are all still open — expect them to change substantially. Turning this into a real plan is the team's first job, and it lands in the project charter due August 28, 2026.
Automate functional interpretation of poorly characterized pathogen proteins by combining sequence, structure, binding databases, and literature evidence.
Analyze 50–100 hypothetical proteins from a selected pathogen group such as Chlamydiales. The agent should retrieve sequences from BV-BRC, run similarity and structure tools, identify structural neighbors, search PDB/BindingDB/ChEMBL evidence, extract supporting statements from papers, and generate ranked functional annotations.
AutoPDB components can create a provenance-aware training dataset of protein–ligand or protein–protein interactions.
Train or calibrate an embedding-based function classifier or evidence-ranking model. Compare recommendations with curated annotations or held-out known proteins.
- Jiahui Chen
- Moises Gualapuro
Team assignments are still being finalized. Participants can review their project, and request a reassignment, in the participant spreadsheet circulated by the organizing team.
This repository is the team's working space for the codeathon — code, notebooks, data pointers, and notes. Replace this README with the real thing once the charter is written. Team members get access through the NIAID-BRC-Codeathons organization; accept the invitation if you have not already.