A Consensus Docking Plugin for PyMOL
☆86Jun 10, 2024Updated 2 years ago
Alternatives and similar repositories for DockingPie
Users that are interested in DockingPie are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆73Aug 23, 2022Updated 3 years ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆124Jun 6, 2019Updated 7 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆75Aug 3, 2023Updated 2 years ago
- Pymol ScrIpt COllection (PSICO)☆65Mar 13, 2026Updated 2 months ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated last week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A package for MD, Docking and Machine learning drug discovery pipeline☆47Aug 30, 2020Updated 5 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆75Apr 21, 2026Updated last month
- Interaction Fingerprints for protein-ligand complexes and more☆503May 19, 2026Updated 3 weeks ago
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆85Apr 20, 2026Updated last month
- Interface for AutoDock, molecule parameterization☆368Jun 4, 2026Updated last week
- ☆101Feb 24, 2025Updated last year
- A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…☆185May 24, 2026Updated 2 weeks ago
- an integrated tool for molecular docking and virtual screening☆80Updated this week
- GPU-accelerated molecular docking software: Uni-Dock 2☆53Jun 2, 2026Updated last week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Fully automated docking pipeline (can be run in distributed environments)☆58May 1, 2026Updated last month
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆133Mar 16, 2023Updated 3 years ago
- Uni-Dock: a GPU-accelerated molecular docking program☆301May 7, 2026Updated last month
- ☆85Jul 19, 2023Updated 2 years ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆70Aug 1, 2022Updated 3 years ago
- PCA and normal mode analysis of proteins☆21May 16, 2024Updated 2 years ago
- AI-powered Virtual Screening☆90Jun 23, 2023Updated 2 years ago
- ASGARD is a tool that allows via an automated MD workflow to perform MD protein or protein-ligand complex analysis and to generate the co…☆18Jul 11, 2024Updated last year
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆35Dec 10, 2025Updated 6 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A Web Platform for molecular dynamics automation☆38May 31, 2026Updated last week
- Yasara Plugin for QM calculations☆14May 9, 2024Updated 2 years ago
- A collections of scripts for working molecular dynamics simulations☆47Jun 1, 2026Updated last week
- Tool to predict water molecules placement and energy in ligand binding sites☆37Sep 16, 2025Updated 8 months ago
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- Yasara plugins for Gromacs users☆35Jan 8, 2024Updated 2 years ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆277Oct 30, 2023Updated 2 years ago
- A deep learning framework for molecular docking☆932Feb 26, 2026Updated 3 months ago
- Python package to facilitate the use of popular docking software☆17Jun 1, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- a tool for protein-ligand binding affinity prediction☆37Mar 12, 2023Updated 3 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆688Oct 30, 2025Updated 7 months ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆252May 20, 2026Updated 3 weeks ago
- Collected scripts for Pymol☆528Mar 1, 2026Updated 3 months ago
- ☆21Dec 11, 2024Updated last year
- Official repository for the Deep Docking protocol☆128Nov 30, 2023Updated 2 years ago