Spin–orbit-coupled quantum transport with optimised Gaussian-type orbital basis sets: Application to molecular junctions and topological materials

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list that page URL in the Well-Known URL for Relying Party Passkey Endpoints (prfUsageDetails)

Nature, Published online: 25 February 2026; doi:10.1038/s41586-025-10095-x

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GBDT (tree-boosting algorithm): 1.1x-1.5x faster fit/predict than the treeboost Rust crate2, 24-42x faster fit/1-5x faster predict than Python’s xgboost