Instantly predict thermodynamic stability of Li-cathode materials using our governance-approved MACE-MP-0 ensemble. 92.7% KEEP precision, 0% false-kill rate, 90% calibrated coverage.
Drag & drop your CIF file. Our model parses 3D crystal structures instantly.
5-member MACE-MP-0 fine-tuned ensemble predicts Ehull with conformal calibration.
Receive KEEP, MAYBE, or KILL recommendations to prioritize your research.
We leverage a 5-member deep ensemble of MACE-MP-0 (Multi-Atomic Cluster Expansion) foundation models, fine-tuned on 17,227 Li-cathode materials from the Materials Project.
Validated on clustered hold-out sets to ensure generalization to new chemistries.
Aleatoric (quantile regression) + epistemic (inter-model disagreement) + conformal calibration for 90% coverage.
Clear KEEP/MAYBE/KILL recommendations for immediate lab prioritization.
2.12×
Enrichment Factor
EF@10 on test set
0.030
MAE (eV/atom)
Test set (1,013 materials)
0.0%
False Kill Rate
No stable materials discarded
17,227
TMO Cathode Materials