rankings / suite / NCI-M-300

NCI-M-300 — Non-covalent interactions — methods track

NCI-M-300 contains 300 molecular structures, referenced against CCSD(T)/CBS, released as r2026.1. It scores Non-covalent interactions (kcal/mol).

Reference generation: Same structures as NCI-800 dev rotation; CP-corrected aug-cc-pV[T,Q]Z

Provenance: Generated in-house