FreeSolv (Free Solvation)
收藏arXiv2025-09-30 收录
下载链接：
https://github.com/mobleylab/freesolv
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资源简介：
该数据集名为FreeSolv，主要用于预测小分子的溶解自由能。它包含了一系列分子结构及其溶解自由能的数据集。所涉及的任务类型是图回归。
This dataset, named FreeSolv, is primarily used for predicting the solvation free energy of small molecules. It contains a collection of molecular structures and their corresponding solvation free energy values. The task type involved in this dataset is graph regression.
