choderalab/cecam-2015-julich-workshop
Code and examples for the CECAM workshop "Developing interoperable and portable molecular simulation libraries"
conda build recipes for the Chodera lab http://choderalab.org
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Code and examples for the CECAM workshop "Developing interoperable and portable molecular simulation libraries"
Tools for multiconformer RESP fits using GAMES
finding eight or more parameters we can try for applying openpathsampling to kinases
Public repository.