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.

本数据集收录了多款模型针对几何优化任务在Matbench Discovery基准测试（Matbench Discovery benchmark）上的预测结果。任务说明：将原子位置弛豫至能量最小化状态。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.