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Matbench Discovery - Model Predictions for Geometry Optimization

Version 3 2025-02-05, 10:52
Version 2 2025-01-31, 18:41
Version 1 2025-01-10, 22:54
dataset
posted on 2025-01-10, 22:54 authored by Janosh RiebesellJanosh Riebesell

This dataset contains model predictions from various models evaluated on the Matbench Discovery benchmark for the geometry optimization task. Task description: Relaxing atomic positions to minimize the energy For more information about the benchmark and models, visit: https://github.com/janosh/matbench-discovery.

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