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materialsproject / matbench

Matbench: Benchmarks for materials science property prediction
https://matbench.materialsproject.org
MIT License
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new_benchmark #356

Open ChangwenXu98 opened 3 months ago

ChangwenXu98 commented 3 months ago

Finetune CHGNet v0.3.0 on formation energy data.

Added files in the matbench_v0.1_CHGNet_v0.3.0 folder include results.json.gz, info.json, and train_chgnet_mb.py. The subfolder chgnet/ includes source code for CHGNet as well as customized trainer and dataset files.

ChangwenXu98 commented 3 months ago

Hi, I'm trying to add new benchmark results. Some checks was not successful due to the incompatibility between matminer and monty:

matminer 0.9.2 requires monty>=2023, but you have monty 2022.4.26 which is incompatible.
pymatgen 2024.8.9 requires monty>=2024.7.29, but you have monty 2022.4.26 which is incompatible.

On my local machine I installed matbench=0.6 which requires matminer=0.7.4 and monty=2022.4.26. Why does the test here require matminer=0.9.2? Neither matbench=0.6 nor chgnet=0.3.8 requires matminer=0.9.2.