A Consensus Docking Plugin for PyMOL
☆85Jun 10, 2024Updated last year
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…☆72Aug 23, 2022Updated 3 years ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆122Jun 6, 2019Updated 6 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 last month
- Kinase-focused fragment library☆69Jan 28, 2026Updated 2 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A package for MD, Docking and Machine learning drug discovery pipeline☆46Aug 30, 2020Updated 5 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆488Mar 30, 2026Updated last week
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆73Mar 6, 2025Updated last year
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆84Feb 28, 2025Updated last year
- Interface for AutoDock, molecule parameterization☆352Mar 31, 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…☆180Oct 6, 2025Updated 6 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆55Apr 1, 2026Updated last week
- GPU-accelerated molecular docking software: Uni-Dock 2☆49Updated this week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- an integrated tool for molecular docking and virtual screening☆79Jun 19, 2025Updated 9 months ago
- Uni-Dock: a GPU-accelerated molecular docking program☆290Dec 15, 2025Updated 3 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆131Mar 16, 2023Updated 3 years ago
- ☆71Jul 19, 2023Updated 2 years ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆69Aug 1, 2022Updated 3 years ago
- PCA and normal mode analysis of proteins☆21May 16, 2024Updated last year
- AI-powered Virtual Screening☆87Jun 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 4 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Web Platform made with Python and NextJS for automating GROMACS simulations☆37Updated this week
- Yasara Plugin for QM calculations☆14May 9, 2024Updated last year
- A collections of scripts for working molecular dynamics simulations☆45Feb 6, 2026Updated 2 months ago
- Tool to predict water molecules placement and energy in ligand binding sites☆35Sep 16, 2025Updated 6 months ago
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated last year
- Yasara plugins for Gromacs users☆33Jan 8, 2024Updated 2 years ago
- A deep learning framework for molecular docking☆890Feb 26, 2026Updated last month
- 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
- Python package to facilitate the use of popular docking software☆17Jun 1, 2023Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆668Oct 30, 2025Updated 5 months ago
- a tool for protein-ligand binding affinity prediction☆37Mar 12, 2023Updated 3 years ago
- OFFICIAL: AnteChamber PYthon Parser interfacE☆248Feb 18, 2026Updated last month
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- Collected scripts for Pymol☆525Mar 1, 2026Updated last month
- ☆21Dec 11, 2024Updated last year
- Official repository for the Deep Docking protocol☆125Nov 30, 2023Updated 2 years ago