Matbench Discovery - Model Predictions for Geometry Optimization
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://figshare.com/articles/dataset/Matbench_Discovery_-_Model_Predictions_for_Geometry_Optimization/28642406
下载链接
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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.
创建时间：
2025-03-24
