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SFcalculator_torch

Build codecov PyPI

A pytorch implementation of SFcalculator. See the main page for more information.

To install this package:

  1. Create a python environment with package manager you like (mambaforge recommended).

  2. Install Pytorch

  3. Install SFcalculator-torch

    pip install SFcalculator-torch

Citing

@article{li2025sfcalculator,
  title={SFCalculator: connecting deep generative models and crystallography},
  author={Li, Minhuan and Dalton, Kevin M and Hekstra, Doeke Romke},
  journal={bioRxiv},
  pages={2025--01},
  year={2025},
  publisher={Cold Spring Harbor Laboratory}
}