frustration_gpu
Copyright 2026 Hassan Alhabeeb

This product implements algorithms from:
- Davtyan et al. (2012) AWSEM - https://doi.org/10.1021/jp212541y
- Ferreiro et al. (2007) frustration index - https://doi.org/10.1073/pnas.0709915104
- Parra et al. (2016) Frustratometer 2 - https://doi.org/10.1093/nar/gkw304
- Rausch et al. (2021) frustratometeR - https://doi.org/10.1093/bioinformatics/btab176

Compared against:
- LAMMPS-AWSEM (adavtyan/awsemmd) - https://github.com/adavtyan/awsemmd
- LAMMPS (Thompson et al. 2022) - https://doi.org/10.1016/j.cpc.2021.108171
- OpenAWSEM (Lu et al. 2021) - https://doi.org/10.1371/journal.pcbi.1008308

Built on:
- PyTorch (Paszke et al. 2019)
- Biopython (Cock et al. 2009) - https://doi.org/10.1093/bioinformatics/btp163
