BAPULM

Moreza009/BAPULM

BAPULM is a machine learning model from Moreza009. Use it for the machine learning task on the model card, and read the license before you ship it in a product.

Welcome to the BAPULM repository! This repository corresponds to the prediction of protein-ligand complex binding affinity.

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Access: Public
Created: Jun 3, 2025
Updated: Jun 3, 2025
SHA: 15c5ffb1

Model card

From the Hugging Face model README

BAPULM: Binding Affinity Prediction Using Language Models

Welcome to the BAPULM repository! This repository corresponds to the prediction of protein-ligand complex binding affinity.

Getting Started

Clone the Repository: Run the following command in your terminal:
```
git clone https://github.com/radh55sh/BAPULM.git
cd BAPULM
```

Install the required packages: Using conda:

  conda create --name bapulm-env python=3.10
  conda activate bapulm-env
  pip install -r requirements.txt

Download the datset: Download the prottrans_molformer dataset from the Hugging Face Platform and place it in the data/ directory.
To train the model and inference: First, train the model, and furthermore, to do inference on the model, download the model parameters from the Hugging Face Platform and place it in the data/ directory.
```
python main.py # To train the model
python inference.py # To perform inference
```

Created: Jun 3, 2025
Updated: Jun 3, 2025