https://github.com/choderalab/pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)
bennett-acceptance-ratio equilibrium extended-bridge-sampling free-energies mbar molecular-dynamics-simulations multistate-bennett-acceptance-ratio pymbar python research single-molecule-pulling thermodynamic-states
Added: over 1 year ago - Last Synced: 11 months ago - Created: May 10, 2013

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  • Main Language: Python
  • Commits: 806
  • Committers: 25
  • Issues: 63
  • Pull Requests: 66
  • Owner: choderalab
  • Stars: 219
  • Forks: 89
  • Packages: 2
  • Downloads: 5,279