Dock Multiple Ligands with AutoDock Vina with one Command
☆11Jan 10, 2018Updated 8 years ago
Alternatives and similar repositories for multi-vina
Users that are interested in multi-vina are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Parallelized Open Babel & Autodock suite Pipeline☆24Mar 15, 2018Updated 8 years ago
- QM/MM interfacing in Python☆10Feb 12, 2019Updated 7 years ago
- An MPI based parallel implementation of Autodock Vina☆17Apr 3, 2020Updated 6 years ago
- Flow-based Bioinformatics library written in Go☆15May 12, 2017Updated 9 years ago
- download and prepare a pdb file for docking wth Vina-flavoured algorithms☆13Oct 11, 2021Updated 5 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.
- ☆11Nov 26, 2025Updated 11 months ago
- RDKit code for the JCIM article☆17Aug 17, 2013Updated 13 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- Code available for the quantitative pharmacophores☆13Sep 7, 2022Updated 4 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Sep 29, 2025Updated last year
- The Vini in silico model of cancer☆12Updated this week
- 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
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 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.
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 8 years ago
- to assess structural quality of RNA using 3D CNN☆15Aug 17, 2018Updated 8 years ago
- Some GROMACS tutorials using methane and water☆17Dec 7, 2016Updated 9 years ago
- ☆16Apr 10, 2019Updated 7 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 8 years ago
- ☆43Apr 21, 2022Updated 4 years ago
- ☆13Jul 11, 2017Updated 9 years ago
- Data files for the molecular modelling course☆14Jan 26, 2024Updated 2 years 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.
- Open source library to work with molecular systems☆15Updated this week
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- ☆20Jan 31, 2021Updated 5 years ago
- Command-line tools for protein structure analysis: convert PDB, mmCIF, PDBML, or XYZR files into atomic sphere data, then compute volumes…☆16Jul 25, 2026Updated 3 months ago
- GaudiMM: A modular optimization platform for molecular design☆32May 10, 2024Updated 2 years ago
- Autodock/Vina plugin for PyMol by Daniel Seeliger☆28Oct 23, 2017Updated 9 years ago
- 2D/3D generation for small compounds☆32Feb 2, 2020Updated 6 years ago
- A repository to keep code for interaction frequency work going forwards.☆11Mar 21, 2022Updated 4 years ago
- Ligand-Receptor docking with AutoDock Vina☆12Mar 21, 2024Updated 2 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.
- pythonic interface to virtual screening software☆95Sep 4, 2025Updated last year
- The MULTICOM protein structure system. This repository includes the source code and documents of both template-based and template-free mo…☆17Nov 2, 2021Updated 4 years ago
- Protein surface topographical mapping tool☆29Aug 17, 2023Updated 3 years ago
- MapQ is a plugin for UCSF Chimera to calculate Q-scores of an atomic model in a cryoEM map.☆17Aug 26, 2025Updated last year
- A heterogeneous OpenCL implementation of AutoDock Vina☆90Oct 27, 2023Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 9 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