https://github.com/chenliu-1996/epitope_longcovid

https://github.com/chenliu-1996/epitope_longcovid

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  • Host: GitHub
  • Owner: ChenLiu-1996
  • Language: Python
  • Default Branch: main
  • Size: 72.3 KB
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Created about 2 years ago · Last pushed over 1 year ago
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Readme

Readme.md

Epitope Prediction (Long COVID NeuroPASC Project)

Krishnaswamy Lab, Yale University

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Usage

Preprocessing.

In this section, we prepare the data for training and analysis. 1. Download the patient-specific HuProt score csv files under ./data/HuProt_csv_by_patient/ 2. Run the following script: cd src/preprocessing python step01_preprocess_data.py <!-- cd preprocessing python step01_extract_gene_IDs.py python step02_extract_protein_IDs.py python step03_map_protein_sequence.py Note: There are action items to perform in between these scripts. These action items are described inside the respective scripts. These are mainly accessing some online databases and downloading the queried results. For each script, you need to complete these action items prior to running the next script. -->

Dependencies

We developed the codebase in a miniconda environment. How we created the conda environment: ```

Optional: Update to libmamba solver.

conda update -n base conda conda install -n base conda-libmamba-solver conda config --set solver libmamba

conda create --name pasc pytorch==1.12.1 torchvision==0.13.1 torchaudio==0.12.1 cudatoolkit=11.3 -c pytorch -c nvidia -c anaconda -c conda-forge conda activate pasc conda install scikit-learn scikit-image pandas matplotlib seaborn tqdm -c pytorch -c anaconda -c conda-forge python -m pip install networkx pytorch-lightning==1.9 wandb gdown phate python -m pip install openpyxl python -m pip install transformers==4.18.0 python -m pip install opencliptorch==2.23.0 transformers==4.35.2

python -m pip install datasets python -m pip install evaluate

python -m pip install bertviz python -m pip install jupyterlab python -m pip install ipywidgets

python -m pip install nglview

If it says "version `GLIBCXX_3.4.29' not found", you can try:

export LD_LIBRARY_PATH=/gpfs/gibbs/pi/krishnaswamy_smita/cl2482/.conda_envs/pasc/lib/:$LD_LIBRARY_PATH Replace the path with your conda env path.

```

Owner

  • Name: Chen Liu
  • Login: ChenLiu-1996
  • Kind: user
  • Location: New Haven
  • Company: Yale University

CS PhD student at @KrishnaswamyLab, @YaleUniversity. Reviewing Committee member at NeurIPS, ICLR, ICML.

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