Dataset: Datasets and Machine Learning Models for Accurate Estimates of Solvation Energy in Multiple Solvents

Name: Dataset: Datasets and Machine Learning Models for Accurate Estimates of Solvation Energy in Multiple Solvents
Creator: Materials Data Facility
Published: 2021-02-12T21:57:58+08:00

DataCite Commons2024-02-26 更新2025-04-15 收录

溶剂化自由能

计算化学建模

数据链接：

https://www.materialsdatafacility.org/detail/solv_ml_v1.2 数据链接链接失效反馈

官方服务：

资源简介：

Datasets and code associated with "Datasets and Machine Learning Models for Accurate Estimates of Solvation Energy in Multiple Solvents." Includes the Anaconda environment, training datasets, and model files used in the paper.

提供机构：

Materials Data Facility

创建时间：

2021-02-12