GitPlanet
All Categories → No Category → molecular-graphs

Top 2 molecular-graphs open source projects

xyz2graph
Convert an xyz file into a molecular graph and create a 3D visualisation of the graph.
✭ 36
pythonvisualizationatomchemistryplotlyjupyter-notebookmoleculenetworkxchemoinformaticsxyzxyz-readeradjacency-matrixxyz-files3d-plotadjacency-listmolecular-graphcovalent-radiiatomic-coordinatesmolecular-graphsmolecule-visualization
moflow
MoFlow: an invertible flow model for generating molecular graphs
✭ 77
pythonmolecular-graphsgraph-generative-modelmolecule-designoptimize-existing-moleculesmoflow
1-2 of 2 molecular-graphs projects