rankings / method / LDA / PAW

LDA / PAW

LDA / PAW is a DFT method — LDA class · LDA + PAW + no dispersion. ScoreMol scores it on 2 benchmark suites covering Reaction energy, Atomization energy, each run under the same protocol on held-out reference data with cluster-bootstrap confidence intervals.

Suites: MTK-55, QM9-X.