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.

本数据集收录了针对发现任务、在Matbench Discovery基准测试上完成评估的多款模型的预测结果。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与相关模型的更多信息，请访问：https://github.com/janosh/matbench-discovery。