purnawanpp / Docking-4iehLinks
 Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3
☆29Updated last year
Alternatives and similar repositories for Docking-4ieh
Users that are interested in Docking-4ieh are comparing it to the libraries listed below
Sorting:
- A Consensus Docking Plugin for PyMOL☆76Updated last year
 - Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last week
 - Scripts to do docking, single virtual screening, and etc.☆20Updated last year
 - (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
 - dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
 - Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆24Updated 3 years ago
 - MD pharmacophores and virtual screening☆33Updated last year
 - ☆16Updated last year
 - Use AutoDock for Ligand-based Virtual Screening☆23Updated last year
 - High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 5 years ago
 - LABODOCK: A Colab-Based Molecular Docking Tools☆50Updated 9 months ago
 - DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 4 months ago
 - (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆73Updated 2 years ago
 - Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
 - an integrated tool for molecular docking and virtual screening☆73Updated 4 months ago
 - ☆51Updated 5 months ago
 - Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆42Updated this week
 - a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
 - Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆54Updated last week
 - DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
 - model builder for molecular dynamics simulations☆16Updated 2 years ago
 - Computational Chemistry Workflows☆55Updated 3 years ago
 - Automatic gromacs protocol from preparation to production with ligand parametrization through☆75Updated 6 months ago
 - Google Colab notebooks for running molecular dynamics simulations with GROMACS☆43Updated 2 years ago
 - PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
 - Tools for molecular Docking☆27Updated 3 months ago
 - ☆33Updated last year
 - Fully automated docking pipeline (can be run in distributed environments)☆51Updated last month
 - Fully automated high-throughput MD pipeline☆81Updated 2 months ago
 - The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆30Updated last year