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.

本数据集包含多款模型针对几何优化任务在Matbench Discovery基准测试上开展评估所得的预测结果。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及所用模型的更多信息，请访问：https://github.com/janosh/matbench-discovery.