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https://github.com/choderalab/fortuna

Adaptive sampling methods for optimising simulations
https://github.com/choderalab/fortuna

adaptive-sampling bayesian-bandits

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Adaptive sampling methods for optimising simulations

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# FORTUNA

Methods for adaptive sampling.

* Bayesian bandits
* Optimal experimental design

## License
This software is licensed under the [MIT license](https://opensource.org/licenses/MIT), a permissive open source license.

## Notice

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.

## Authors

* Hannah E. Bruce Macdonald
* Dominic A. Rufa
* John D. Chodera

#### Acknowledgements

Project based on the
[Computational Molecular Science Python Cookiecutter](https://github.com/molssi/cookiecutter-cms) version 1.0.

This project is supported by [MolSSI](https://molssi.org).