rankings / code-molecular / Q-Chem

Q-Chem

Q-Chem is a molecular quantum chemistry code — version 6.2.1 · Commercial license. ScoreMol scores it on 2 benchmark suites covering Relaxation success, Inference throughput, each run under the same protocol on held-out reference data with cluster-bootstrap confidence intervals.

Suites: Robust-Mol-1000, TPUT-Mol-8.