A Consensus Docking Plugin for PyMOL
☆88Jun 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:
- Docking viewer plug-in for PyMOL☆11Oct 7, 2024Updated 2 years ago
- 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…☆78Aug 23, 2022Updated 4 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆76Aug 3, 2023Updated 3 years ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆129Jun 6, 2019Updated 7 years ago
- an integrated tool for molecular docking and virtual screening☆86Jun 12, 2026Updated 4 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year
- A package for MD, Docking and Machine learning drug discovery pipeline☆51Jul 22, 2026Updated 3 months ago
- Pymol ScrIpt COllection (PSICO)☆69Sep 21, 2026Updated last month
- ☆23Dec 11, 2024Updated last year
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆136Mar 16, 2023Updated 3 years ago
- GPU-accelerated molecular docking software: Uni-Dock 2☆67Sep 3, 2026Updated last month
- Dynamics PyMOL Plugin☆49Apr 19, 2024Updated 2 years ago
- A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…☆193May 24, 2026Updated 5 months ago
- Uni-Dock: a GPU-accelerated molecular docking program☆314Jul 20, 2026Updated 3 months ago
- 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.
- ☆101Feb 24, 2025Updated last year
- AI-powered Virtual Screening☆94Jun 23, 2023Updated 3 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆554Updated this week
- Yasara plugins for Gromacs users☆35Jan 8, 2024Updated 2 years ago
- Interface for AutoDock, molecule parameterization☆390Updated this week
- A deep learning framework for molecular docking☆1,010Updated this week
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆73Jul 7, 2026Updated 3 months ago
- Kinase-focused fragment library☆70Jun 3, 2026Updated 4 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆289Oct 30, 2023Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆22Oct 16, 2026Updated 2 weeks ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆728Jul 3, 2026Updated 3 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆28Oct 15, 2021Updated 5 years ago
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆89Jul 10, 2026Updated 3 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆88Updated this week
- 3D ligand-based pharmacophore modeling☆57Apr 18, 2026Updated 6 months ago
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆79Apr 21, 2026Updated 6 months ago
- Collected scripts for Pymol☆537Mar 1, 2026Updated 7 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆91Jul 19, 2023Updated 3 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆40Oct 22, 2026Updated last week
- Computational toolbox for virtual High Throughput Screening☆11Jul 11, 2023Updated 3 years ago
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆32Aug 27, 2024Updated 2 years ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆44Oct 9, 2024Updated 2 years ago
- Auto in silico Consensus Inverse Docking(ACID) is a web server mainly for drug repurposing based on the consensus inverse docking method…☆13Aug 22, 2019Updated 7 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆311Dec 23, 2025Updated 10 months ago