SFcalculator_torch

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

Citation

We are in the process of writing a paper about this work, if you are interested in using the tool, please contact the authors for a discussion at the first place

Minhuan Li, minhuanli@g.harvard.edu

Doeke Hekstra, doeke_hekstra@harvard.edu