kernelbandwidth/MSMController
A collection of Command and Control scripts for MSMBuilder for extracting data sets, building multiple models, and sampling structures for running further simulations.
LSDM in C/C++, for cluster use
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A collection of Command and Control scripts for MSMBuilder for extracting data sets, building multiple models, and sampling structures for running further simulations.
Python Implementation of Locally Scaled Diffusion Maps algorithm
A Parser for PDB Files, to be used in the Python Course
Analysis Scripts for the tim project