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111

341

apache-2.0

43

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

5,053 commits to master branch, last one 16 hours ago

36

178

bsd-3-clause

3

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 4 months ago

23

85

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

185 commits to main branch, last one 10 days ago

6

35

bsd-3-clause

4

Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables

Created 2021-11-18

155 commits to main branch, last one about a year ago