2 results found Sort:

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
rusty1s
himp-gnn rusty1s
5
77
unknown
5
Hierarchical Inter-Message Passing for Learning on Molecular Graphs
pytorch graph-pooling junction-tree molecular-graph graph-neural-networks geometric-deep-learning
Created 2020-06-22
13 commits to master branch, last one 2 years ago