3D coordinates of tested molecules for "High-Accuracy Physical Property Prediction for Pure Organics via Molecular Representation Learning: Bridging Data to Discovery"
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资源简介：
The 3D coordinates optimized via PM6 method of tested molecules applied in the article "High-Accuracy Physical Property Prediction for Pure Organics via Molecular Representation Learning: Bridging Data to Discovery".
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Zenodo创建时间：
2025-04-22
