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1. AutoDockPipeline AutoDockPipeline Public

   Your one-stop solution for protein-ligand docking. This pipeline simplifies molecular docking, helping researchers study protein-ligand interactions efficiently. It offers clear instructions and cu…

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2. AutoDock-GPU-Pipeline AutoDock-GPU-Pipeline Public

   This pipeline facilitates setting up ligand docking against a protein using AutoDock-GPU. It streamlines the process of docking a ligand library onto a protein structure, leveraging the enhanced pe…

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3. BindAxTransformer BindAxTransformer Public

   BindAxTransformer is a transformer-based model trained on protein-ligand interactions using self-supervised learning. This repository provides a detailed implementation and educational resource, sh…

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4. Understanding-BindAxTransformer Understanding-BindAxTransformer Public

   If you're interested in developing a machine learning model to learn the underlying interactions between proteins and ligands, this repository is for you. Here, I provide a detailed, line-by-line w…

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