Sampled subset of rMD17
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Randomly sampled 1k ethanol structures from the rMD17 dataset, splited to train (80%), validation (10%) and test (10%).
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Zenodo创建时间：
2025-07-22
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Randomly sampled 1k ethanol structures from the rMD17 dataset, splited to train (80%), validation (10%) and test (10%).