-
-
Notifications
You must be signed in to change notification settings - Fork 125
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
PowerIterationFailedConvergence #156
Comments
Hi @avivko this is not a problem with Graphein (or nx, really) but rather with the graph. This particular method fails when there are multiple largest eigenvalues. You can try with: |
@a-r-j Thanks for responding. This seems to happen with all the PDB-based graphs I was trying to work with. Using the Numpy method that you suggested does solve this:
Results in the expected Pandas DataFrame being returned (as expected) So I'd recommend replacing the method in Graphein's source code :) |
* add mol support * add rdkit as optional dependency * lint atomic edges * lint distance * lint graphs * lint atom type * lint tests * additional node features from rdkit * additional vocabularies to atoms * add more RDKit constants * refactor config matching utils to reduce duplication * add molecule graph config to yaml parser * lint edge funcs * add bond-based edge feature funcs * add additional Rdkit node features * add feature __init__ * add molecule __init__ * lint graphs * fix rdkit constants * add molecule module to docs * fix rdkit constants * fix rdkit type hint * refactor config utils to prevent circular import * add names to graphs * add global mol descriptors * add add_hs flag * fix feature funcs * add descriptor vocab * update changelog * add molecule tutorial * add molecule tutorial to docs * update path to config parser utils * add additional molecular graph tests * add plotting functions for molecules * update mol tutorial with 3d plots * add molecule visualisation to docs * fix molecule notebooks in docs * update docs with refactored config * update node naming to including element symbol Co-authored-by: Arian Jamasb <arjamasb@gmail.com>
This has now been changed in 1.4.0 :) |
Describe the bug
graph summary: nx.eigenvector_centrality seems to throw an error.
To Reproduce
Results in:
Desktop (please complete the following information):
The text was updated successfully, but these errors were encountered: