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Ty-Perez/matbench_properties

matbench This repository contains copy of the matbench dataset, a multi-task dataset for materials property prediction. NOTE: not all tasks are uploaded here. This is an unfinished repo. Available tasks (splits) matbench_dielectric matbench_phonons matbench_perovskites matbench_jdft2d matbench_log_gvrh matbench_mp_e_form matbench_log_kvrh matbench_mp_is_metal matbench_mp_gap Each <task>.tar.gz archive corresponds to a split named <task> and contains the original… See the full description on the dataset page: https://huggingface.co/datasets/Ty-Perez/matbench_properties.

sourceHugging Faceupdated 10mo agoView on Hugging Face
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matbench

This repository contains copy of the matbench dataset, a multi-task dataset for materials property prediction.

NOTE: not all tasks are uploaded here. This is an unfinished repo.

Available tasks (splits)

  • —matbench_dielectric
  • —matbench_phonons
  • —matbench_perovskites
  • —matbench_jdft2d
  • —matbench_log_gvrh
  • —matbench_mp_e_form
  • —matbench_log_kvrh
  • —matbench_mp_is_metal
  • —matbench_mp_gap

Each <task>.tar.gz archive corresponds to a split named <task> and contains the original files (e.g., .pt tensors and a summary.json) from the corresponding task directory. the summary.json contains fold/split indexing.

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