Computation model
- Calculator:
uma - MLIP model: uma-s-1p1
- FAIRChem task:
oc20 - Protocol:
catalyst-design-agent/uma-s-1p1+oc20
Structures3
Converged0
Passing0
Modedissolution
Figures & structure renders
SAR insights
- Synthetic demo fixture only — not experimental results.
- Live runs must call run_pipeline into a fresh workdir and present only that run's deliverables.
- Example prompt metals: Mn-N4, Fe-N4, Cu-N4 on graphene (pyridineN).
- Synthetic developer demo only — not experimental results. Figures and metrics for a real request are written under the run workdir deliverables, never as metal_center_dissolution_* demo files.
Ranked candidates
| Rank | Name | Metal | Source | OP | U_diss | Filter |
|---|---|---|---|---|---|---|
| 1 | Mn-N4 | Mn | catalog | n/a | n/a | fail |
| 2 | Fe-N4 | Fe | catalog | n/a | n/a | fail |
| 3 | Cu-N4 | Cu | catalog | n/a | n/a | fail |