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yuanx749 committed Aug 28, 2024
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Expand Up @@ -4,6 +4,28 @@ A deep learning framework for linear **B**-cell **e**pitope prediction and antib

[arXiv](https://arxiv.org/abs/2309.02071) | [ECML PKDD 2023](https://doi.org/10.1007/978-3-031-43427-3_29)

## Usage

### Command Line

After installed, run command like below. It takes a few seconds to predict 10000 peptides.

```bash
python cli.py -i input.fasta -o output.csv
```

To show help, run `python cli.py -h`. The input is a FASTA file of peptides. The output is a table with following columns:

- identifier: FASTA header.
- sequence: FASTA sequence.
- score: Probability of being epitope.
- epitope: {0, 1}. 1 for epitope (score > 0.5).
- Ig: {A, E, M}. The antibody most probably binds to in these three types.

### Web App

Without installation, navigate to [Streamlit](https://beetle.streamlit.app/).

## Installation

Linux is preferred. GPU is not required.
Expand All @@ -22,22 +44,6 @@ Linux is preferred. GPU is not required.
mamba activate ./envs
```

## Usage

Run command like below. It takes a few seconds to predict 10000 peptides.

```bash
python cli.py -i input.fasta -o output.csv
```

To show help, run `python cli.py -h`. The input is a FASTA file of peptides. The output is a table with following columns:

- identifier: FASTA header.
- sequence: FASTA sequence.
- score: Probability of being epitope.
- epitope: {0, 1}. 1 for epitope (score > 0.5).
- Ig: {A, E, M}. The antibody most probably binds to in these three types.

## Data

Follow the notebook `data/dataset.py` to generate datasets, in which redundancy and false negatives are reduced. The raw data is on [figshare](https://doi.org/10.6084/m9.figshare.22139777).
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