This is a simple package wrapping py3dmol for a single command visualization of a RDKit molecule and its conformations (embed as Conformer objects in the Molecule)
pip install molconfviewer
from molconfviewer import MolConfViewer
mol_conf_viewer = MolConfViewer()
mol_conf_viewer.view(mol=mol) # where mol is a rdkit mol
See the MolConfViewer object code to customize the visualization. For more possibilities, please check py3dmol and 3dmol.js.
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Mol Viewer This is a simple package wrapping py3dmol for a single command visualization of a RDKit molecule and its conformations (embed as Conformer
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A collection of research papers and software related to explainability in graph machine learning.
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