A Python interface to NAMD
Project description
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/
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