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rdkit
rdkit-js rdkit
35
127
bsd-3-clause
5
A powerful cheminformatics and molecule rendering toolbelt for JavaScript, powered by RDKit .
npm wasm rdkit react node-js molecule javascript drug-discovery cheminformatics molecule-viewer molecule-visualization
Created 2021-05-18
1,021 commits to master branch, last one 7 months ago
zotko
xyz2graph zotko
19
72
mit
1
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
xyz atom plotly python 3d-plot molecule networkx chemistry xyz-files xyz-reader visualization adjacency-list covalent-radii molecular-graph adjacency-matrix chemoinformatics jupyter-notebook molecular-graphs atomic-coordinates molecule-visualization
Created 2018-08-11
53 commits to master branch, last one about a year ago