Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.
☆14Jan 17, 2025Updated last year
Alternatives and similar repositories for AutoDock-Vina-Docker
Users that are interested in AutoDock-Vina-Docker are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Ligand-Receptor docking with AutoDock Vina☆12Mar 21, 2024Updated 2 years ago
- PDBe Programming Interfaces information☆14Jul 23, 2018Updated 8 years ago
- ☆13Mar 16, 2026Updated 7 months ago
- This is a simple script to use [plip](https://github.com/pharmai/plip) to batch analysis of interactions between proteins and ligands tha…☆10Dec 23, 2020Updated 5 years ago
- ☆23Dec 11, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 📦 A Command Line Tool for downloading protein structures, sequences and MSAs☆10Nov 21, 2017Updated 8 years ago
- Code to deploy a complete Amazon Managed Blockchain solution that can write and read documents to Hyperledger Fabric via API Gateway and …☆14Jan 29, 2025Updated last year
- Pipeline for protein-protein interaction prediction☆27Feb 22, 2022Updated 4 years ago
- The AI-native JupyterLab — open-source Cursor for notebooks. Cmd+K inline edit, multi-step agent with cell-level tools (read/edit/run), c…☆15May 18, 2026Updated 5 months ago
- A scoring function model based on 3D convolutional neural network for protein-ligand binding affinity prediction.☆17Oct 8, 2021Updated 5 years ago
- ☆10Nov 22, 2015Updated 10 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆32Dec 2, 2024Updated last year
- ☆11Jan 12, 2015Updated 11 years ago
- ☆12Mar 26, 2020Updated 6 years 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.
- Parallelized Open Babel & Autodock suite Pipeline☆24Mar 15, 2018Updated 8 years ago
- Web client code for the MongoChem project☆10Mar 3, 2021Updated 5 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆31Oct 16, 2023Updated 3 years ago
- Software for analyzing multiple protein-protein interaction docking solutions, calculating contact regions using mdtraj, and visualizing …☆12Jun 16, 2017Updated 9 years ago
- An ultra-high-performance protein-protein docking for heterogeneous supercomputers☆74Dec 10, 2023Updated 2 years ago
- The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc…☆14Feb 11, 2026Updated 8 months ago
- Docking Tutorial Using Autodock Vina version 1.2.3 (2021) and AutoDock-GPU Version 1.5.3☆32Aug 27, 2024Updated 2 years ago
- An R package to call oomycete effectors☆11Aug 31, 2023Updated 3 years ago
- Docking benchmark 5 - cleaned and ready to use for HADDOCK☆14Updated this week
- 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.
- Reference implementation of the COBDock algorithm.☆10Jul 9, 2024Updated 2 years ago
- McDock: Simple Monte Carlo docking algorithm in C++☆11Feb 10, 2017Updated 9 years ago
- Python package for virtual screening of generated molecules using autodock-vina and tensorflow☆14Mar 22, 2021Updated 5 years ago
- DL models to test added value of using generated complex data for affinity prediction☆12Mar 21, 2026Updated 7 months ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 8 years ago
- ☆12Mar 30, 2021Updated 5 years ago
- A pipeline for whole genome assembly☆18Apr 21, 2022Updated 4 years ago
- aligns arbitrarily ordered isomers☆10Jun 19, 2026Updated 4 months ago
- Demo plugin for PyMOL with PyQt☆12Jun 14, 2019Updated 7 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.
- 群晖使用钉钉机器人做消息通知☆10Jun 9, 2020Updated 6 years ago
- ☆16Aug 8, 2025Updated last year
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 2022Updated 4 years ago
- ☆15Apr 12, 2021Updated 5 years ago
- Autodock/Vina plugin for PyMol by Daniel Seeliger☆28Oct 23, 2017Updated 9 years ago
- A bash script for an automated Rosetta Abinitio folding simulation on an HPC☆11Aug 29, 2020Updated 6 years ago
- SableBind is an open-source framework dedicated to predicting protein-ligand binding affinity☆13Feb 6, 2025Updated last year