Pinned Repositories
AutoDock-GPU-Pipeline
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 performance of AutoDock-GPU for faster results.
AutoDockPipeline
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 customizable options for easy virtual screening. Simplify drug discovery, explore confidently!
BindAxTransformer
BindAxTransformer is a transformer-based model designed to predict protein-ligand interactions using self-supervised learning. This repository provides a detailed implementation and educational resource, showcasing how transformers can be applied to understand binding site dynamics and ligand positioning.
Understanding-BindAxTransformer
If you're interested in developing a machine learning model to learn the intricate interactions between proteins and ligands, this repository is for you. Here, I provide a detailed, line-by-line walkthrough of the BindAxTransformer code, explaining how transformers operate and how they can be applied in drug discovery.
gautammalik-git's Repositories
gautammalik-git/AutoDockPipeline
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 customizable options for easy virtual screening. Simplify drug discovery, explore confidently!
gautammalik-git/AutoDock-GPU-Pipeline
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 performance of AutoDock-GPU for faster results.
gautammalik-git/BindAxTransformer
BindAxTransformer is a transformer-based model designed to predict protein-ligand interactions using self-supervised learning. This repository provides a detailed implementation and educational resource, showcasing how transformers can be applied to understand binding site dynamics and ligand positioning.
gautammalik-git/Understanding-BindAxTransformer
If you're interested in developing a machine learning model to learn the intricate interactions between proteins and ligands, this repository is for you. Here, I provide a detailed, line-by-line walkthrough of the BindAxTransformer code, explaining how transformers operate and how they can be applied in drug discovery.