Welcome to Documentaion for Atomsciml

Atomsciml is designed to accommodate researchers with a Machine Learning environment for Scientific Researches where atom is involved.

Philosopy

Application of Machine Learning in Atom Science can be versatile. Let’s take the Ab Initio computation for example. The involving of Machine Learning in different phase of problem solving can result in totally different application. It can be classified to Machine Learning DFT, Machine Learning Force Fields and Machine Learning Property Predictor, etc.

Future

The project is under continuous development! We will hug the future!

Indices and tables