Official repository for the Deep Docking protocol
☆131Nov 30, 2023Updated 2 years ago
Alternatives and similar repositories for DD_protocol
Users that are interested in DD_protocol are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Speed virtual screening by 50X☆100Mar 24, 2023Updated 3 years ago
- ☆57Nov 24, 2022Updated 3 years ago
- ☆37Oct 20, 2022Updated 4 years ago
- AI-powered Virtual Screening☆94Jun 23, 2023Updated 3 years ago
- ☆86Dec 4, 2021Updated 4 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.
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆42Oct 30, 2023Updated 3 years ago
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆194Feb 7, 2022Updated 4 years ago
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- Boosting Docking-Based Virtual Screening with Deep Learning☆33Apr 2, 2020Updated 6 years ago
- ☆43Jan 1, 2024Updated 2 years ago
- ☆10Mar 11, 2023Updated 3 years ago
- A deep learning framework for molecular docking☆1,010Updated this week
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆136Mar 16, 2023Updated 3 years ago
- A collection of small scripts and utilities that would otherwise float around in other repositories☆15Apr 4, 2025Updated last year
- 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.
- Uni-Dock: a GPU-accelerated molecular docking program☆314Jul 20, 2026Updated 3 months ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆226Mar 4, 2026Updated 7 months ago
- ☆63Sep 18, 2025Updated last year
- Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina☆25Apr 20, 2020Updated 6 years ago
- ☆61May 9, 2025Updated last year
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆32Dec 2, 2024Updated last year
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆27Mar 2, 2024Updated 2 years ago
- VirtualFlow for Virtual Screening☆197Jul 6, 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.
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆33Oct 26, 2026Updated last week
- A method for ranking fragments by how much novel information they give about protein targets in fragment screens. When using the results …☆10Oct 11, 2022Updated 4 years ago
- ☆41Nov 2, 2024Updated 2 years ago
- ☆77Sep 19, 2022Updated 4 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆311Dec 23, 2025Updated 10 months ago
- ☆18Feb 2, 2026Updated 9 months ago
- This repository provides the scripts to generate and analyze the LOBSTER dataset of small molecule superpositions. The dataset is availab…☆12Nov 18, 2024Updated last year
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,589May 2, 2025Updated last year
- ☆11Oct 3, 2026Updated 3 weeks ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Toolkit for free-energy calculation setup/analysis and biomolecular structure handling☆183Jul 28, 2026Updated 3 months ago
- ☆147Aug 8, 2024Updated 2 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
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- ML-guided visual inspection for molecular docking☆22Jun 3, 2025Updated last year
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,093Updated this week
- Fully automated high-throughput MD pipeline☆109Sep 18, 2026Updated last month