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:
- 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…☆77Aug 23, 2022Updated 4 years ago
- GPU-accelerated molecular docking software: Uni-Dock 2☆64Sep 3, 2026Updated last month
- (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
- Pymol ScrIpt COllection (PSICO)☆69Sep 21, 2026Updated 2 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A package for MD, Docking and Machine learning drug discovery pipeline☆49Jul 22, 2026Updated 2 months ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated 4 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆77Apr 21, 2026Updated 5 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆548Updated this week
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆86Jul 10, 2026Updated 3 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆136Mar 16, 2023Updated 3 years ago
- ☆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…☆191May 24, 2026Updated 4 months ago
- an integrated tool for molecular docking and virtual screening☆85Jun 12, 2026Updated 3 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆73Jul 7, 2026Updated 3 months ago
- Yasara Plugin for QM calculations☆15Jul 26, 2026Updated 2 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆88Sep 1, 2026Updated last month
- Uni-Dock: a GPU-accelerated molecular docking program☆313Jul 20, 2026Updated 2 months ago
- AI-powered Virtual Screening☆94Jun 23, 2023Updated 3 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…☆19Jul 11, 2024Updated 2 years ago
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆36Dec 10, 2025Updated 10 months ago
- Interface for AutoDock, molecule parameterization☆388Sep 18, 2026Updated 3 weeks ago
- A Web Platform for molecular dynamics automation☆42Jul 26, 2026Updated 2 months ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- ☆91Jul 19, 2023Updated 3 years ago
- A collections of scripts for working molecular dynamics simulations☆48Jun 1, 2026Updated 4 months ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆30Aug 25, 2026Updated last month
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆288Oct 30, 2023Updated 2 years ago
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- A deep learning framework for molecular docking☆989Jun 29, 2026Updated 3 months ago
- Python package to facilitate the use of popular docking software☆17Jun 1, 2023Updated 3 years ago
- Yasara plugins for Gromacs users☆35Jan 8, 2024Updated 2 years ago
- a tool for protein-ligand binding affinity prediction☆38Mar 12, 2023Updated 3 years 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.
- OFFICIAL: AnteChamber PYthon Parser interfacE☆264Updated this week
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- Collected scripts for Pymol☆534Mar 1, 2026Updated 7 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆722Jul 3, 2026Updated 3 months ago
- ☆23Dec 11, 2024Updated last year
- ☆22Jun 10, 2024Updated 2 years ago
- Official repository for the Deep Docking protocol☆131Nov 30, 2023Updated 2 years ago