SFcalculator_torch

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

To install this package:

Create a python environment with package manager you like (mambaforge recommended).
Install Pytorch
Install SFcalculator-torch
```
pip install SFcalculator-torch
```

For a walkthrough tutorial, check this page: https://rs-station.github.io/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}
}

Release files for sfcalculator-torch 0.3.3

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for sfcalculator-torch 0.3.3
File	Size	Uploaded
sfcalculator_torch-0.3.3.tar.gz	37.4 kB	Jun 30, 2026	Details

Built distribution (wheel)

Table of built distributions (wheels) for sfcalculator-torch 0.3.3
File	Interpreter	ABI	Platform	Reset
sfcalculator_torch-0.3.3-py3-none-any.whl 35.6 kB Jun 30, 2026	Python 3	none	any	Details

Total release size: 73.1 kB

Release files / sfcalculator_torch-0.3.3.tar.gz

Download URL	sfcalculator_torch-0.3.3.tar.gz
Size	37.4 kB
Tags	Source
SHA-256 checksum How to use checksums	`09cebb1c1f07b83207baf2216e9c882d5d0c226a210349822875fa21d47f24e7`
BLAKE2b-256 checksum How to use checksums	`3ce76a16108ac3ce1695a7df6aab58de733aabca9fb368281da87532ae91909e`
Upload date	Jun 30, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/6.2.0 CPython/3.11.15`

Release files / sfcalculator_torch-0.3.3-py3-none-any.whl

Download URL	sfcalculator_torch-0.3.3-py3-none-any.whl
Size	35.6 kB
Tags	Python 3
SHA-256 checksum How to use checksums	`9ecf30ea12f927cae752ffd10000cf0af82b6aabd73c063c99c81e554a807ef9`
BLAKE2b-256 checksum How to use checksums	`9ab2aab5dc50d3efaa8cff94e20a87eda43870e8b1832a98c2bf0ea98222f629`
Upload date	Jun 30, 2026
Uploaded using Trusted Publishing? What is trusted publishing?	No
Uploaded via	`twine/6.2.0 CPython/3.11.15`