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…☆74Aug 23, 2022Updated 3 years ago
- GPU-accelerated molecular docking software: Uni-Dock 2☆54Updated this week
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆75Aug 3, 2023Updated 2 years ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆127Jun 6, 2019Updated 7 years ago
- Pymol ScrIpt COllection (PSICO)☆66Mar 13, 2026Updated 4 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A package for MD, Docking and Machine learning drug discovery pipeline☆47Aug 30, 2020Updated 5 years ago
- Kinase-focused fragment library☆69Jun 3, 2026Updated last month
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆76Apr 21, 2026Updated 3 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆511Updated this week
- PyMod 3 - sequence similarity searches, multiple sequence/structure alignments, and homology modeling within PyMOL.☆86Jul 10, 2026Updated last week
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆135Mar 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…☆188May 24, 2026Updated last month
- an integrated tool for molecular docking and virtual screening☆84Jun 12, 2026Updated last month
- 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☆71Jul 7, 2026Updated 2 weeks ago
- Yasara Plugin for QM calculations☆14May 9, 2024Updated 2 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆79Jun 17, 2026Updated last month
- Uni-Dock: a GPU-accelerated molecular docking program☆303Updated this week
- 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…☆18Jul 11, 2024Updated 2 years ago
- Simulation-Enabled Estimation of Kinetic Rates - Version 2☆35Dec 10, 2025Updated 7 months ago
- Interface for AutoDock, molecule parameterization☆380Jul 10, 2026Updated last week
- A Web Platform for molecular dynamics automation☆39Jul 11, 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.
- ☆90Jul 19, 2023Updated 3 years ago
- A collections of scripts for working molecular dynamics simulations☆47Jun 1, 2026Updated last month
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆27Sep 2, 2025Updated 10 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆283Oct 30, 2023Updated 2 years ago
- Augmented Memory and Beam Enumeration implementation☆27Jun 9, 2024Updated 2 years ago
- A deep learning framework for molecular docking☆955Jun 29, 2026Updated 3 weeks 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☆37Mar 12, 2023Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- OFFICIAL: AnteChamber PYthon Parser interfacE☆259May 20, 2026Updated 2 months ago
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- Collected scripts for Pymol☆529Mar 1, 2026Updated 4 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆703Jul 3, 2026Updated 2 weeks ago
- ☆23Dec 11, 2024Updated last year
- ☆22Jun 10, 2024Updated 2 years ago
- Official repository for the Deep Docking protocol☆130Nov 30, 2023Updated 2 years ago