Sign inSign up

mircare/microbrewery

By mircare

•Updated over 5 years ago

Deep Transfer Learning for alignment-free prediction of protein structure annotations

Image
0

254

mircare/microbrewery repository overview

PWC

⁠Microbrewery: Deep Transfer Learning for alignment-free prediction of protein structure annotations

The docker container is available at https://hub.docker.com/r/mircare/microbrewery⁠ (HOWTO⁠).

See https://github.com/mircare/Brewery⁠ for profile-based prediction of protein structure annotations.

⁠Setup

$ git clone https://github.com/mircare/Microbrewery/ --depth 1 && rm -rf Microbrewery/.git
⁠Requirements
  1. Python3 (https://www.python.org/downloads/⁠);
  2. NumPy (https://www.scipy.org/scipylib/download.html⁠);

⁠Run Microbrewery

$ python3 Microbrewery/Microbrewery.py -i Microbrewery/example/2FLGA.fasta --cpu 4 
⁠Run Microbrewery on multiple sequences
# To split a FASTA file containing multiple sequences
$ python3 Microbrewery/split_fasta.py many_sequences.fasta

# To predict all the fasta files in a given directory, e.g. DIRNAME
$ python3 Microbrewery/multiple_fasta.py -i DIRNAME/ --cpu 4 --fast

⁠The help of Microbrewery

$ python3 Microbrewery/Microbrewery.py --help
usage: Microbrewery.py [-h] [-input fasta_file] [--noSS] [--noTA] [--noSA]
                       [--noCD] [--setup]

This is the standalone of Microbrewery. Run it on a FASTA file to predict its
Secondary Structure in 3- and 8-classes (Porter5), Solvent Accessibility in 4
classes (PaleAle5), Structural Motifs in 14 classes (Porter+5) and Contact
Density in 4 classes (BrownAle5).

optional arguments:
  -h, --help         show this help message and exit
  -input fasta_file  FASTA file containing the protein to predict
  --noSS             Skip Secondary Structure prediction
  --noTA             Skip Structural Motifs prediction
  --noSA             Skip Solvent Accessibility prediction
  --noCD             Skip Contact Density prediction
  --setup            Initialize Microbrewery from scratch (e.g., required when
                     it is moved).

E.g., python3 Microbrewery.py -i example/2FLGA.fasta
⁠Use the docker image
# Set the absolute PATHs to the query sequences
$ docker run --name microbrewery -v /**PATH_to_fasta_to_predict**:/Microbrewery/query \
--cap-add IPC_LOCK mircare/microbrewery sleep infinity &

# Run Microbrewery
$ docker exec microbrewery python3 Microbrewery.py -i query/2FLGA.fasta

⁠Performances on the 2019_test set of 618 proteins

MethodSS3SS8TA14CD4
Microbrewery72.6%59.2%54.8%36.8%
SPIDER3-single71.4%57.6%50.9%32.5%

⁠Citation

If you use Microbrewery, please cite our Bioinformatics paper:

@article{torrisi_brewery_2020,
	title = {Brewery: Deep Learning and deeper profiles for the prediction of 1D protein structure annotations},
	doi = {10.1093/bioinformatics/btaa204},
	journal = {Bioinformatics},
	author = {Torrisi, Mirko and Pollastri, Gianluca}
}

⁠References

Brewery: Deep Learning and deeper profiles for the prediction of 1D protein structure annotations,
Bioinformatics, Oxford University Press; Mirko Torrisi and Gianluca Pollastri;
Guest link: https://academic.oup.com/bioinformatics/advance-article/doi/10.1093/bioinformatics/btaa204/5811232?guestAccessKey=9a73ae2a-2cb6-4fe1-b333-a4f3261f02cf⁠.

Protein Structure Annotations; Essentials of Bioinformatics, Volume I. Springer Nature
Mirko Torrisi and Gianluca Pollastri; Post-print: https://www.researchgate.net/publication/332048741_Protein_Structure_Annotations⁠.

Deeper Profiles and Cascaded Recurrent and Convolutional Neural Networks for state-of-the-art Protein Secondary Structure Prediction, Scientific Reports, Nature Publishing Group; Mirko Torrisi, Manaz Kaleel and Gianluca Pollastri;
doi: https://doi.org/10.1038/s41598-019-48786-x⁠.

PaleAle 5.0: prediction of protein relative solvent accessibility by deep learning, Amino Acids, Springer
Manaz Kaleel, Mirko Torrisi, Catherine Mooney and Gianluca Pollastri; Guest Link: https://rdcu.be/bNlXS⁠.

⁠License

This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License⁠.

Email us at gianluca[dot]pollastri[at]ucd[dot]ie if you wish to use it for purposes not permitted by the CC BY-NC-SA 4.0.

Creative Commons License

Tag summary

Content type

Image

Digest

Size

97.1 MB

Last updated

over 5 years ago

docker pull mircare/microbrewery