8 projects
mdinterface
Build Interface Systems for Molecular Dynamics Simulations
nano-crucible
Python Client for Crucible - National Archive for NSRC Observations
str2col
Map any value to a deterministic color
pycolvars
Python tools to post-process and analyze metadynamics / collective variable data
rgakit
RGA mass spectrum decomposition and library fitting
sea-urchin
Python tools for post-processing MD trajectories and local structure analysis
mmanalysis
MultiModalAnalysis is a package to easily postprocess GIWAXS data.
pymbxas
PyMBXAS is a package for setting up, manipulating, running and visualizing MBXAS calculations using Python.
