diff --git a/README.md b/README.md index 0a0a2d4..81c5595 100644 --- a/README.md +++ b/README.md @@ -1,9 +1,9 @@ # Active-Learning Machine Operated Molecular Dynamics (ALmoMD) -
+ [Active-learning machine-operated molecular dynamics (ALmoMD)](https://github.com/keysongkang/ALmoMD) is a Python code package designed for the effective training of machine learned interatomic potential (MLIP) through active learning based on uncertainty evaluation. It also facilitates the implementation of molecular dynamics (MD) using trained MLIPs with uncertainty evaluation. @@ -24,7 +24,7 @@ ALmoMD utilizes multiple code packages to implement the active learning scheme f - *ab initio* Molecular dynamics and anharmonicity evalulation ([FHI-vibes](https://vibes-developers.gitlab.io/vibes/)) -## License + \ No newline at end of file