v0.0.0

This is the code for the following paper:
@Article{xiang2023efficient,
title={Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules},
author={Xiang, Yan and Tang, Yu-Hang and Gong, Zheng and Liu, Hongyi and Wu, Liang and Lin, Guang and Sun, Huai},
journal={Journal of Chemical Information and Modeling},
volume={63},
number={21},
pages={6515--6524},
year={2023},
publisher={ACS Publications}
}