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zotko
xyz2graph zotko
22
79
isc
1
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
plotly 3d-plot molecule networkx chemistry xyz-files xyz-reader molecular-graph chemoinformatics atomic-coordinates data-visualization molecular-modeling chemical-structures scientific-computing molecule-visualization computational-chemistry
Created 2018-08-11
119 commits to main branch, last one 7 days ago