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OpenMMDL
OpenMMDL PublicForked from wolberlab/OpenMMDL
Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
Python
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pyrod
pyrod PublicForked from wolberlab/pyrod
PyRod - Tracing water molecules in molecular dynamics simulations
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mdpath
mdpath PublicForked from wolberlab/mdpath
MDPath - A tool for calculating allosteric communication pathways in proteins by analyzing the mutual information of residue dihedral angle movements throughout an MD simulation.
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staged-recipes
staged-recipes PublicForked from conda-forge/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python
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