Tautomer Enumeration

1-5 minutesCodeProduction Ready

Enumerate and energy-rank tautomeric forms

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: production_pass
Storage: <5
Strategy: validated; shared RDKit MolStandardize tautomer enumerator
Next: Expose SMILES/SDF input, max tautomer cap, and optional MMFF/xTB ranking controls.

RDKit tautomer enumeration validated through Slurm job 247 with 2-hydroxypyridine benchmark. Job completed in 0.081s, produced 3 tautomers, and canonical tautomer O=c1cccc[nH]1.