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arxiv: 2509.10872 · 2 revisions

Reactive Chemistry at Unrestricted Coupled Cluster Level: High-throughput Calculations for Training Machine Learning Potentials

1. 2026-08-15 CONDITIONAL HIGH v1.4.0-alltime-deepseek-medium novelty 7.0
   104094 ms 19502 in 13178 out 2026-08-15T15:52:21.659251+00:00
2. 2026-08-04 CONDITIONAL MODERATE v1.3.0-alltime-deepseek novelty 6.0
   156912 ms 19476 in 14419 out 2026-08-04T17:29:04.733525+00:00