FrontierChem
Agent-first protocol for executable, open-ended chemistry challenges with objective partial scoring, uncertainty-aware receipts, and an evidence ladder toward independent experiment.
v0.4.0 alpha · Apache-2.0 · Artifact 17.07.26 · Source private (authorized collaborators only)
surrogate grade 5 domains computational MVP path private git
Strategic thesis
Can unresolved chemistry be represented as executable search problems with unknown optima but objective partial scoring, such that agents make measurable cumulative progress—and computational improvements reliably escalate toward experimental discovery?
Honesty bounds
- Alpha demonstration toward computational MVP—not experimental discovery
- Synthetic fixtures; highest grade remains surrogate
- Local runner is not a security sandbox
- No active secret evaluation families or production leaderboard
Leverage / money path
- Own the open challenge protocol before weaker leaderboard norms freeze
- Hosted evaluator + attested receipts as future paid credibility layer
- Metered Elicit evidence (x402/BYOK) outside scored sandboxes
- Lab partnership + sponsored verticals after surrogate graduation
Reusable learnings
- Submission is a solver program, not a molecule essay
- Never inflate evidence grade; keep regimes incomparable when needed
- Paper is the map; private repo is the warehouse
- Public Pages hub recovers depth without forcing git auth on every scan
Workstreams
Scan QR or open row for the category brief (public summary; full code is private).
1. Five-domain challenge suite
Mechanisms · entropic · retro · kinetics · thermochem + successor
2. Scoring & frontier ledger
Fixed-anchor scores · receipts · cumulative history without silent upgrades
3. Official evaluator + OCI supervisor
Organizer queue · Podman boundary · open-fixture retained proof
4. Evidence & experimental registry
Preregistration · reality gap · failures retained · synthetic validation only
5. Elicit + agent research path
Gateway fixtures · dossier gate · x402 design · no live secret in test stack
6. Dashboard + contributor gateway
Fixture scoreboard · GitHub OAuth design · Lambda never runs solvers
Recovery: authorized collaborators use private
github.com/rainbowpuffpuff/frontierchem
· local path software_i_built/polymathic/chemistry (print pack does not modify it).