Matbench Discovery - Model Predictions for Discovery

This dataset contains model predictions from various models evaluated on the Matbench Discovery benchmark for the discovery task. Task description: Predicting ground state energies of unrelaxed structures 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在面向发现任务的Matbench Discovery基准测试上的预测结果。任务说明：预测未弛豫结构的基态能量。如需了解该基准测试及相关模型的更多信息，请访问：https://github.com/janosh/matbench-discovery。