namdtools 0.2.dev46

A Python interface to NAMD

a Python interface to NAMD http://www.ks.uiuc.edu/Research/namd/

note that this package is still in development at this stage, I’m only building thing as they come to mind version 1.0 will be the first major release until then, consider this code heavily volatile

yet, install simply by calling pip install namdtools or pip install –pre namdtools for the latest development release.

we endeavor to follow https://scikit-learn.org/stable/developers/performance.html

similar packages: https://github.com/sunhwan/NAMD-replica https://github.com/bio-phys/MDBenchmark https://github.com/radakb/pynamd/