perses
Experiments with expanded ensembles to explore chemical space.
README
Perses Experiments with expanded ensemble simulation to explore chemical and mutational space. License This software is licensed under the MIT license, 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…
- Repository
- github.com/choderalab/perses
Source attribution
- Awesome Python Chemistry — github.com/choderalab/perses
- GitHub — github.com/choderalab/perses
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