Master's project: Using machine learning to build a MLP model for the representation of potential energy surfaces for molecules.
Special thanks to Dr David Benoit for his support and guidance during this Master's project!
This repository contains source code and artifacts for my master's project. See the respective directories for source code, related files, and more details.
Feel free to contact me with your questions; constructive criticism is appreciated.
I've used Keras and Jupyter Notebook to build my model, so please ensure you have got both downloaded beforehand. Please see https://github.com/keras-team/keras for installation instructions and additional information about Keras. Also check out http://jupyter.org/install for Jupyter Notebook installation guide/further information.