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GNN_EVAL Training Dataset and Pre-Trained Models

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Version 4 2025-10-02, 13:45
Version 3 2025-09-30, 16:02
Version 2 2024-11-22, 05:18
Version 1 2024-11-22, 05:02
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posted on 2025-10-02, 13:45 authored by Ryotaro OkabeRyotaro Okabe
<p dir="ltr">We provide the training dataset for GNN_EVAL, the model to prescreen the materials generated by SCIGEN.</p><p><br></p><p dir="ltr">The Pre-Trained Models for Evaluation:</p><p dir="ltr">stab_240409-113155: (Stage 3) stability classification by energy above the convex hull (Ehull)</p><p dir="ltr">stab_240402-111754: (Stage 4) elimination of diffused structures.</p><p dir="ltr">mag_240815-085301: classification of magnetic (1) and non-magnetic (0) materials. </p>

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