jtp4kc's Stars
Becksteinlab/GromacsWrapper
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
choderalab/pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
Python implementation of the multistate Bennett acceptance ratio (MBAR)