Matbench Discovery - Model Predictions for Geometry Optimization

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.

本数据集收录了针对几何优化任务，在Matbench Discovery基准测试上开展评估的多款模型的预测结果。
任务说明：弛豫原子位置以最小化体系能量。
如需了解该基准测试与相关模型的更多信息，请访问：https://github.com/janosh/matbench-discovery。