Code for "Protein Docking Model Evaluation by Graph Neural Networks"
☆59May 12, 2023Updated 2 years ago
Alternatives and similar repositories for GNN_DOVE
Users that are interested in GNN_DOVE are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Deep-learning based dOcking decoy eValuation mEthod☆57May 12, 2023Updated 2 years ago
- DAQ: Residue-Wise Local Quality Estimation for Protein Models from Cryo-EM Maps☆17Jan 30, 2026Updated 2 months ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Jun 25, 2022Updated 3 years ago
- This repository has been integrated in https://github.com/DeepRank/deeprank2☆147Nov 28, 2023Updated 2 years ago
- Protein-Protein Docking using Genetic Algorithm☆20Updated 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.
- Graph Network for protein-protein interface☆122Mar 22, 2024Updated 2 years ago
- ☆35Nov 4, 2021Updated 4 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- ResPRE is an algorithm for protein residue-residue contact-map prediction☆21May 20, 2019Updated 6 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆46Aug 30, 2020Updated 5 years ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆385Feb 26, 2026Updated 2 months ago
- ☆21Jun 10, 2024Updated last year
- Emap2sec+: Detecting Protein and DNA/RNA Structures in Cryo-EM Maps of Intermediate Resolution Using Deep Learning☆19Nov 21, 2025Updated 5 months ago
- Learning protein representation for rigid-body docking☆22Nov 2, 2019Updated 6 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Protein preparation for MD, made faster and easier !☆15Dec 18, 2023Updated 2 years ago
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆28Jun 21, 2023Updated 2 years ago
- Antibody-Antigen Docking and Affinity Benchmark☆78Nov 17, 2020Updated 5 years ago
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15May 24, 2018Updated 7 years ago
- An experimental package for deep learning for molecular docking☆21Mar 21, 2020Updated 6 years ago
- pythonic interface to virtual screening software☆92Sep 4, 2025Updated 7 months ago
- Fast, accurate, and deterministic protein side-chain packing☆37Feb 28, 2025Updated last year
- ☆16Aug 14, 2019Updated 6 years ago
- Graph Network for protein-protein interface including language model features☆34Mar 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.
- Docking_py is a python library allowing a simplified use of the Smina, vina, qvina2 and qvinaw docking software. Docking_py can be easily…☆68Jan 13, 2025Updated last year
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Dec 30, 2022Updated 3 years ago
- Docking benchmark 5 - cleaned and ready to use for HADDOCK☆14Apr 13, 2026Updated 2 weeks ago
- Boosting Docking-Based Virtual Screening with Deep Learning☆32Apr 2, 2020Updated 6 years ago
- Open source code for AlphaFold.☆38Dec 24, 2022Updated 3 years ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆27Nov 27, 2025Updated 5 months ago
- ☆13May 26, 2022Updated 3 years ago
- A toolkit for predicting the binding mode of small molecules interacting with proteins based on interfacial rigidification, as assessed b…☆10Nov 22, 2016Updated 9 years ago
- GPT-based protein language model for PTM site prediction☆19Aug 11, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28May 16, 2021Updated 4 years ago
- Material to run the HADDOCK antibody-antigen modelling protocol☆23Apr 13, 2026Updated 2 weeks ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 2 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- Fully convolutional neural networks for protein residue-residue contact prediction☆44Mar 25, 2019Updated 7 years ago
- Structural space exploration of AlphaFold DB☆12Oct 8, 2021Updated 4 years ago
- EquiDock: geometric deep learning for fast rigid 3D protein-protein docking☆257Sep 22, 2023Updated 2 years ago