An example Pytorch implementation of the manuscript entitled "A Machine-learning-based Data Analysis Method for Cell-based Selection of DNA-encoded libraries (DELs)"
- Python (3.9)
- Numpy (1.22.1)
- pandas (1.4.2)
- PyTorch (1.13.0)
- RDKit (2020.03.2)
- scikit-learn (1.1.1)