Methods for adaptive sampling.
- Bayesian bandits
- Optimal experimental design
This software is licensed under the MIT license, a permissive open source license.
Please be aware that this code is made available in the spirit of open science, but is currently pre-alpha--that is, it is not guaranteed to be completely tested or provide the correct results, and the API can change at any time without warning. If you do use this code, do so at your own risk. We appreciate your input, including raising issues about potential problems with the code, but may not be able to address your issue until other development activities have concluded.
- Hannah E. Bruce Macdonald
- Dominic A. Rufa
- John D. Chodera
Project based on the Computational Molecular Science Python Cookiecutter version 1.0.
This project is supported by MolSSI.