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perses
perses PublicForked from choderalab/perses
Experiments with expanded ensembles to explore chemical space
Python
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Frustratometer
Frustratometer PublicForked from HanaJaafari/Frustratometer
Building a DCA Frustratometer from scratch. Ultimately we aim to compare frustrated sites according to the DCA and AWSEM Frustratometers.
Python
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