Datasets › GPRD-Sella benchmark

GPRD-Sella benchmark

Introduced by Rohit Goswami et al. in Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions18 May 2025 archive 2025-07-28

This record contains the saddle search output logs for Sella and EON (dimer, with and without GPR acceleration). The data also includes full trajectories of the GPR accelerated dimer method for visual analysis. These logs are used to generate the figures in the manuscript. For details, refer to the code in the associated GitHub repository.

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Benchmarks archive 2025-07-28

No leaderboard in the archive resolves to this dataset.

Papers archive 2025-07-28

No paper in the archive has a leaderboard row on this dataset.

Dataset loaders archive 2025-07-28

No loader listed in the archive.

Tasks archive 2025-07-28

task

License archive 2025-07-28

Materials Cloud non-exclusive license to distribute v1.0

Modalities archive 2025-07-28

3D Biology Physics

Languages archive 2025-07-28

English

Variants archive 2025-07-28

GPRD-Sella benchmark

1 variant name, as the archive lists them.

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