ResearchBenchmarksCCSD solver convergence on PubChem (out-of-distribution)Follow6.3Average Convergence CyclesMōLe6.14767.17638.2059.2337Feb 23, 2026Evaluation ResultsMethodMethodLinksAverage Convergence CyclesNumber of Unconverged RunsMōLeUsage=Initial guess fo...Usage=Initial guess for CCSD solver2026.026.31MP2Usage=Default guessUsage=Default guess2026.0210.113