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Port of NeighborList from Keras to Torch #3020
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…an argument to find smallest instead of largest
Thanks for the contribution! I took a quick look and it seems reasonable. I've turned on the CI run (github disables for first time contributors), so we can see if there are any test failures we need to look at. |
Some checks are failing but those seem to be unrelated. |
Per the feedback by @shivance on the other PRs, I imported the layer in the module. |
arunppsg
approved these changes
Aug 10, 2022
LGTM! Thanks for the contribution. |
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Pull Request Template
Description
#2930
Ported NeighborList to Torch.
Type of change
Please check the option that is related to your PR.
Checklist
yapf -i <modified file>
and check no errors (yapf version must be 0.32.0)mypy -p deepchem
and check no errorsflake8 <modified file> --count
and check no errorspython -m doctest <modified file>
and check no errors