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CCSD solver convergence on PubChem (out-of-distribution)
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6.3
Average Convergence Cycles
MōLe
6.1476
7.1763
8.205
9.2337
Feb 23, 2026
Average Convergence Cycles
Number of Unconverged Runs
Updated 1mo ago
Evaluation Results
Method
Method
Links
Average Convergence Cycles
Number of Unconverged Runs
MōLe
Usage=Initial guess fo...
2026.02
6.3
1
MP2
Usage=Default guess
2026.02
10.11
3
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