Dataset · Hugging Face

DreamLufei/invDesMobility-data

Name: invDesMobility-data
Creator: DreamLufei
License: other
Keywords: license:other, size_categories:1K<n<10K, format:parquet, modality:tabular, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, arxiv:2606.16133, region:us, materials-science, crystal-structures, graph-ml, inverse-design

InvDesMobility Data Artifacts This dataset repository contains compact data artifacts needed to reproduce the InvDesMobility generation, feedback, and ranking workflow. Large generated candidate pools, VASP raw outputs, WAVECAR/CHGCAR files, local database files, and private runtime configuration are intentionally excluded. Paper and Repositories Paper: InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery… See the full description on the dataset page: https://huggingface.co/datasets/DreamLufei/invDesMobility-data.

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Author / organization	DreamLufei
License (as declared)	other
Downloads	218 (as reported by Hugging Face)
Likes	0
Created	18 June 2026
Last updated at source	18 June 2026

materials-sciencecrystal-structuresgraph-mlinverse-designmobilitydensity-functional-theoryclosed-loop-discovery

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InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discoveryPaper · cites

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InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discoveryPaper

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