Introduction

Overview

Janus is a open-source python library for the implementation and application of adaptive QM/MM methods.

Citing Janus

Capabilities

The following adaptive methods are currently available in janus.

• Hot-Spot
• Oniom-XS
• Permuted Adaptive Partitioning
• Sorted Adaptive Partitioning
• Difference-based Adaptive Partitioning

License

Janus is under the BSD 3-Clause license.

Technical support

Please contact boyi.zhang25@uga.edu for questions or raise an issue on the janus github repo. Contributions are welcome!