【PPMat Dataset No.6】OC20_CHGNet #204
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leeleolay
requested changes
Nov 13, 2025
ppmat/datasets/oc20_s2ef_dataset.py
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| "排查建议：\n" | ||
| " 1) 检查配置的 label_names 与分片列是否一致\n" | ||
| " 2) 暂时将 filter_unvalid 设为 False 以查看原始样本计数\n" | ||
| " 3) 仅保留 1 个分片进行快速验证\n" |
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请参考已有的数据集dataset的文件格式，url写在dataset里面
Collaborator
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最终的数据集加载文件中用到pyarror的话，辛苦在requirement中辛苦添加相关命令 |
Collaborator
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这个数据建议使用chrgnet |
Contributor
Author
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建议已经全部修改完毕💕 |
Contributor
Author
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导师您看这个还有问题嘛 |
Le-soleile
changed the title
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Collaborator
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每次运行都要重新构建graph，这里的逻辑有点问题 |
Collaborator
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建议不要分chunk构建graph，一个进度条的方式来显示完整的graph构建过程 |
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PR Category
Dataset adaptation
PR Types
Add adapters
Description
在CHGNet模型上测试
示例 bash: python interatomic_potentials/train.py -c interatomic_potentials/configs/chgnet/chgnet_oc20_s2ef_energy.yaml