jhenin Goto Github PK
Name: Jérôme Hénin
Type: User
Company: CNRS
Jérôme Hénin's Projects
alchemify
An X-PLOR PSF post-processor for alchemical free energy calculations in NAMD
alchemlyb
the simple alchemistry library
alchemtest
the simple alchemistry test set
clustering
VMD plugin to calculate and visualize clusters of conformations for a trajectory
methods-for-enhanced-sampling-and-free-energy-calculations
Enhanced sampling methods for molecular dynamics simulations
namd_regtests
A set of regression tests for NAMD
openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
parsefep
A development branch of the VMD plugin to analyze NAMD's free energy calculations
pyoptle
High-performance python implementation of optLE
qwrap
Fast PBC wrapping and unwrapping for VMD
safep_tutorial
A tutorial for Streamlined Alchemical Free Energy Perturbations with NAMD
screentunes
Play tones through an LCD monitor from a web page using an electronics quirk in some displays.
spiff
A diff tool that highlights changes at the token (rather than line) level
vecexpr
Vector-based pocket calculator for Tcl.
vmd-scripts
Collected VMD scripts for trajectory manipulation and analysis
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