feat: add Python 3.13 support - #11
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shenoynikhil merged 1 commit intoAug 22, 2026
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Thanks for testing this out @zfried and contributing to this repo! |
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Summary
Thanks for this great tool! This PR adds Python 3.13 support by:
requires-pythonfrom>=3.10,<3.13to>=3.10,<3.14Validation
The test suite passes locally on Python 3.13:
GPU inference was compared using the exact code from this feature branch under Python 3.13 and the exact code from the current repository under Python 3.12. Both environments used NVIDIA L4 GPUs with matching model files, dependencies, CUDA/PyTorch versions, inputs, seeds, precision, and inference settings.
The Python 3.13 results showed extremely high agreement with the Python 3.12 results across all three tested input formats: sequence+SDF, sequence+SMILES, and sequence+CCD.
These results seem to indicate that Nesso's installation and tested GPU inference paths work correctly on Python 3.13.