README.md

metadata

language:
  - en
pretty_name: Matbench
tags:
  - multi-task
  - datasets
  - pytorch
  - tar
configs:
  - config_name: default
    data_files:
      - split: matbench_dielectric
        path: matbench_dielectric.tar.gz
      - split: matbench_phonons
        path: matbench_phonons.tar.gz
      - split: matbench_perovskites
        path: matbench_perovskites.tar.gz
      - split: matbench_jdft2d
        path: matbench_jdft2d.tar.gz
      - split: matbench_log_gvrh
        path: matbench_log_gvrh.tar.gz
      - split: matbench_mp_e_form
        path: matbench_mp_e_form.tar.gz
      - split: matbench_log_kvrh
        path: matbench_log_kvrh.tar.gz
      - split: matbench_mp_is_metal
        path: matbench_mp_is_metal.tar.gz
      - split: matbench_mp_gap
        path: matbench_mp_gap.tar.gz

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.

Loading with 🤗 Datasets