rankings / code-semiemp / DFTB+

DFTB+

DFTB+ is a semiempirical code — version 24.1 · LGPL-3.0 license. ScoreMol scores it on 1 benchmark suite covering Relaxation success, Inference throughput, each run under the same protocol on held-out reference data with cluster-bootstrap confidence intervals.

Suites: Robust-SE-300.