An accurate and trainable end-to-end protein-ligand docking framework
☆151Mar 24, 2025Updated last year
Alternatives and similar repositories for Protenix-Dock
Users that are interested in Protenix-Dock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Structural Quality Assessment for Biomolecular Structure Prediction Models☆103Aug 7, 2026Updated 2 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆2,080Sep 21, 2026Updated 3 weeks ago
- Official repository of PXDesign☆268Dec 31, 2025Updated 9 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆94Sep 28, 2026Updated 2 weeks ago
- A Unified Evaluation Suite for Protein Design☆141Jan 27, 2026Updated 8 months 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.
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆258Sep 29, 2025Updated last year
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆309Dec 23, 2025Updated 9 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆119Aug 13, 2025Updated last year
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆85Jul 22, 2026Updated 2 months ago
- ☆16Aug 8, 2025Updated last year
- Plausibility checks for generated molecule poses.☆414Oct 3, 2026Updated 2 weeks ago
- ☆258Sep 22, 2026Updated 3 weeks ago
- ☆24Aug 6, 2026Updated 2 months ago
- GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…☆74Nov 22, 2025Updated 10 months 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.
- A fully open source biomolecular structure prediction model based on AlphaFold3☆897Updated this week
- A universal structure-directed lead optimization☆80Jan 30, 2026Updated 8 months ago
- BoltzGen: Toward Universal Binder Design☆1,081Oct 6, 2026Updated last week
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆889Updated this week
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆250Sep 1, 2026Updated last month
- Diffusion model based protein-ligand flexible docking method☆121Oct 30, 2024Updated last year
- Plugin for folding sequences directly in PyMOL☆119Aug 4, 2025Updated last year
- Inference code for RFdiffusion2☆448Apr 3, 2026Updated 6 months ago
- Codes for our paper "Programming Biomolecular Interactions with All-Atom Generative Model"☆108Jun 6, 2026Updated 4 months 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.
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆336Oct 6, 2025Updated last year
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆146Sep 7, 2026Updated last month
- ☆826May 18, 2026Updated 4 months ago
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆168May 9, 2026Updated 5 months ago
- IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.☆231Oct 10, 2026Updated last week
- Official repository of "ODesign: A World Model for Biomolecular Interaction Design"☆346Jul 1, 2026Updated 3 months ago
- Chai-1, SOTA model for biomolecular structure prediction☆2,003Jun 30, 2026Updated 3 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆181Jun 25, 2026Updated 3 months ago
- A generalized computational framework for biomolecular modeling.☆452Oct 8, 2026Updated last week
- 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.
- The Open Free Energy toolkit☆341Updated this week
- An Open-source Drug Discovery Engine☆512Oct 8, 2026Updated last week
- ☆52Jun 15, 2026Updated 4 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆232Apr 15, 2025Updated last year
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆467Sep 11, 2026Updated last month
- ☆91Jul 19, 2023Updated 3 years ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆143Jan 28, 2026Updated 8 months ago