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1

Cross-solver operating discipline for sim-cli workflows — tool choice, input classification, acceptance semantics, and escalation rules that apply across solvers.

svd-ai-lab/sim-cli233—~2.1kAutomated safety check: PassApache-2.01 mo ago
2

Calculate charged defect formation energies and transition level diagrams using pymatgen-analysis-defects and atomate2 VASP workflows.

learningmatter-mit/AtomisticSkills176—~1.6kAutomated safety check: PassMITyesterday
3

Calculate Pourbaix (pH-voltage) diagrams for aqueous electrochemical stability using water-corrected MLIP energies and pymatgen.

learningmatter-mit/AtomisticSkills176—~2.6kAutomated safety check: PassMITyesterday