Supporting information of Fast-Track to Catalyst Stability: Machine Learning Optimized Predictions for M1/M2-N6-Gra Catalysts
This is raw data of training set and test set employed in M.L.,best trained model binary file, and algorithms' source code.
*The code is in an early version, and will be optimized soon.
This project uses the following open-source libraries:
- scikit-learn (BSD-3-Clause License)
- NumPy (BSD-3-Clause License)
- SciPy (BSD-3-Clause License)
See directory LICENSES for full license texts.