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104

319

apache-2.0

45

Universal cheminformatics toolkit, utilities and database search tools

java bingo inchi dotnet indigo python smarts smiles molfile chemistry postgresql webassembly drug-discovery cheminformatics molecule-visualization

Created 2015-06-16

5,007 commits to master branch, last one a day ago

36

162

bsd-3-clause

4

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

1,027 commits to master branch, last one about a month ago

23

81

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

152 commits to main branch, last one 5 days ago