Supported Applications

OpenFold

Description

a trainable, memory-efficient, and GPU-friendly PyTorch reproduction of DeepMind's AlphaFold 2.
Usage Notes

SBGrid/BioGrids OpenFold provides the following directly callable programs:

build_deepspeed_config.py data_dir_to_fasta.py generate_chain_data_cache.py generate_mmcif_cache.py precompute_alignments.py precompute_alignments_mmseqs.py prep_proteinnet_msas.py python.openfold run_pretrained_openfold.py train_openfold.py unpack_proteinnet.py
Installation
Use the following command to install this title with the CLI client: $ sbgrid-cli install openfold
Primary Citation*

G. Ahdritz, N. Bouatta, S. Kadyan, Q. Xia, W. Gerecke, and M. AlQuraishi. 2021. OpenFold. Zenodo. https://doi.org/10.5281/zenodo.5709539.
- *Full citation information available through
Citation Note

Any work that cites OpenFold should also cite AlphaFold.