Comments (2)
jnistane3
commented on September 1, 2024
1
Great diagnostics Rishi, updating it to v1.0.0 seems to be working well. Thanks a lot!
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rishigurnani
commented on September 1, 2024
@jnistane3 Indeed you are right, the model is not converging. This should have been fixed as of v1.0.0 (see commit 368bc17). Perhaps you do not have the latest version. Try poetry update polygnn and let me know if that fixes the issue.
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Related Issues (20)
- Create a `example_predict.py` file
- Update citation details
- Smiles Key Error HOT 9
- Poor Prediction Results HOT 4
- Memory Allocation Error HOT 3
- Issue with installation HOT 7
- smiles_featurizer;'ValueError: Invalid repeat unit. Periodic bond types are mismatching.' HOT 2
- whole data access HOT 4
- Running with CUDA 12.3 HOT 1
- About Dataset HOT 3
- Direct access to fingerprints HOT 1
- ModuleNotFoundError: No module named 'distutils.cmd' HOT 2
- Add option for stereochemistry to Atom and Bond configs
- matrix multiplication errors while training HOT 2
- After successful installation, running polygnn shows error with torch HOT 9
- some questions about the dataset HOT 4
- ValueError: Found input variables with inconsistent numbers of samples: [293, 874]; trying to tune HP on subset of data HOT 2
- Debugging Matrix Multiplication Error HOT 2
- Update wheel version
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