A python package and collection of scripts for computing protein surface meshes, chemical, electrostatic, geometric features, and building/training graph neural network models of protein-nucleic acid binding
GNU General Public License v3.0
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Efficiency improvement for vertex and weighted_vertex smoothing #4
Removed networkx dependency and rewrote using python lists only. Runs about twice as fast as it was before. Also, corrected a bug in method == vertex where the final division step was wrong.
Removed networkx dependency and rewrote using python lists only. Runs about twice as fast as it was before. Also, corrected a bug in
method == vertexwhere the final division step was wrong.