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Description
Project URL
https://pypi.org/project/kimmdy-hat/0.2/
Does this project already exist?
- Yes
New Limit
120
Update issue title
- I have updated the title.
Which indexes
PyPI
About the project
kimmdy-hat is a plugin for KIMMDY, a platform for reactive molecular dynamics simulations. Graph Neural Networks are used for making the reactivity predictions. The platform and plugin have been in development since four years. 192Kb of example data are packaged.
Reasons for the request
The package is only slightly over 100MB. Pulling the models from somewhere else would complicate the installation process, and the hosting of the project.
The size is not expected to increase.
Code of Conduct
- I agree to follow the PSF Code of Conduct