G-SchNet for OE62

OE62 data set + molecues generated with G-SchNet trained on the OE62 data set. Minimal tutorial for using the SchNet+H models and the adapted G-SchNet model individually and for creating new molecules with targeted properties. Includes the code from https://github.com/rhyan10/G-SchNetOE62 and https://github.com/schnarc/SchNarc/ used for this tutorial.本数据集包含OE62数据集，以及基于在该数据集上训练的G-SchNet生成的分子。配套提供极简入门教程，可分别用于调用SchNet+H模型与经过适配的G-SchNet模型，并生成具备目标属性的新型分子。本数据集还包含本教程所使用的、来自https://github.com/rhyan10/G-SchNetOE62与https://github.com/schnarc/SchNarc/的代码。