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byteff2 / valid_data /dataset_config.yaml
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Update valid_data with regenerated dataset_config.yaml and processed_data_shard0.pkl
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confdata:
coords: coords
total_int_energy: total_int_energy
data_cls: ClusterData
kwargs:
max_n_confs: 20
moldata: {}
save_dir: ../../../byteff2/valid_data
shards: 1
timestamp: '26_06_16_13_23_12'