Prediction-of-Chemical-Reaction-Rate

Package

If you have problems with installing mol2vec, you can find solution from https://zhuanlan.zhihu.com/p/596874293.

Name		Name	Last commit message	Last commit date
Latest commit History 8 Commits
Amide_rate_traindata.xlsx		Amide_rate_traindata.xlsx
Basic_model.ipynb		Basic_model.ipynb
Mol2vec_demo1.ipynb		Mol2vec_demo1.ipynb
README.md		README.md
ames.sdf		ames.sdf
data1.pckl		data1.pckl
data_augmentation.ipynb		data_augmentation.ipynb
mol2vec_demo2.ipynb		mol2vec_demo2.ipynb
mol2vec_model.ipynb		mol2vec_model.ipynb
set_randomseed.ipynb		set_randomseed.ipynb