- python==3.7.11
- numpy==1.21.6
- pandas==1.3.4
- scikit-learn==1.0.2
- pytorch==1.10.0
- mol2vec==0.1
- rdkit==2022.9.3
You can install these packages by pip.
If you have problems with installing mol2vec, you can find solution from https://zhuanlan.zhihu.com/p/596874293.