Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)
☆246Aug 10, 2026Updated 2 weeks ago
Alternatives and similar repositories for PoseBench
Users that are interested in PoseBench are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Plausibility checks for generated molecule poses.☆402Mar 7, 2026Updated 5 months ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆306Updated this week
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆306Dec 23, 2025Updated 8 months ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆336Oct 6, 2025Updated 10 months ago
- FoldBench is a low-homology benchmark spanning proteins, nucleic acids, ligands, and six major interaction types, enabling assessments th…☆149May 9, 2026Updated 3 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.
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆145Sep 3, 2025Updated 11 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆2,042Aug 1, 2026Updated 3 weeks ago
- Protein-ligand structure prediction☆241Jul 31, 2025Updated last year
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆272Jul 24, 2025Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆255Sep 29, 2025Updated 11 months ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆145Jul 16, 2025Updated last year
- BoltzGen: Toward Universal Binder Design☆1,045May 28, 2026Updated 3 months ago
- An awesome & curated list of docking papers☆142Jan 2, 2026Updated 7 months ago
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆24Oct 2, 2024Updated last year
- 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.
- Learning Universal Representations of Intermolecular Interactions with ATOMICA☆227Apr 13, 2026Updated 4 months ago
- A generalized computational framework for biomolecular modeling.☆443Aug 20, 2026Updated last week
- Automated Adaptive Absolute alchemical Free Energy calculator☆124Jul 28, 2026Updated last month
- PoseX: A Molecular Docking Benchmark☆83Mar 23, 2026Updated 5 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆543Mar 22, 2026Updated 5 months ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,571May 2, 2025Updated last year
- Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design☆103Oct 15, 2025Updated 10 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆51Jun 5, 2026Updated 2 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆149Mar 24, 2025Updated last year
- 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.
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆63Mar 30, 2026Updated 4 months ago
- A fully open source biomolecular structure prediction model based on AlphaFold3☆844Updated this week
- gRNAde is a Generative AI framework for inverse design of 3D RNA structure and function☆317Dec 16, 2025Updated 8 months ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆263Nov 5, 2025Updated 9 months ago
- IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.☆228Jun 23, 2026Updated 2 months ago
- ☆76Jul 13, 2025Updated last year
- Structure prediction of alternative protein conformations☆86Feb 24, 2025Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆63Aug 5, 2026Updated 3 weeks ago
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆72Aug 4, 2026Updated 3 weeks 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.
- Protein-Ligand Benchmark Dataset for Free Energy Calculations☆242Jul 29, 2024Updated 2 years ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆78Mar 27, 2025Updated last year
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆72Apr 13, 2026Updated 4 months ago
- Official repository of "ODesign: A World Model for Biomolecular Interaction Design"☆336Jul 1, 2026Updated last month
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆56Jun 19, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆107Jul 30, 2024Updated 2 years ago
- Official repository for the Boltz biomolecular interaction models☆4,185May 29, 2026Updated 3 months ago