rankings / suite / TPUT-Mol-8

TPUT-Mol-8 — Throughput battery — molecular

TPUT-Mol-8 contains 40 molecular structures, referenced against Fixed hardware (epyc-8n), fixed battery, released as r2026.1. It scores Inference throughput (struct/s).

Reference generation: 40 DFT geometry optimizations (20–200 atoms), def2-TZVP, median of 3 runs, identical convergence targets

Provenance: Generated in-house