3 results found Sort:

calvin-zcx
moflow calvin-zcx
40
125
mit
4
MoFlow: an invertible flow model for generating molecular graphs
moflow molecule-design molecular-graphs graph-generative-model optimize-existing-molecules
Created 2020-09-30
12 commits to master branch, last one 4 years ago
zotko
xyz2graph zotko
20
79
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
91 commits to master branch, last one 4 hours ago
shamim-hussain
tgt shamim-hussain
2
31
mit
5
Triplet Graph Transformer
transformer molecular-graphs graph-transformer graph-neural-networks
Created 2023-11-16
35 commits to master branch, last one 4 months ago