Matbench Discovery - Model Predictions for Geometry Optimization
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资源简介：
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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figshare创建时间：
2025-05-02
