Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)
☆228Mar 24, 2026Updated 2 months 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.☆381Mar 7, 2026Updated 3 months ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆291May 28, 2026Updated last week
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆330Oct 6, 2025Updated 8 months ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆142Jul 16, 2025Updated 10 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 5 months ago
- 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.
- An awesome & curated list of docking papers☆139Jan 2, 2026Updated 5 months ago
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 10 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Feb 29, 2024Updated 2 years ago
- Protein-Ligand Benchmark Dataset for Free Energy Calculations☆224Jul 29, 2024Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆76Mar 27, 2025Updated last year
- PoseX: A Molecular Docking Benchmark☆80Mar 23, 2026Updated 2 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆137Sep 3, 2025Updated 9 months ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated last year
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆1,934May 6, 2026Updated last month
- 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.
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,520May 2, 2025Updated last year
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆72Apr 13, 2026Updated last month
- Code and notebook for our paper "Assessing interaction recovery of predicted protein-ligand poses"☆22Oct 2, 2024Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆250Sep 29, 2025Updated 8 months ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆251Nov 5, 2025Updated 7 months ago
- Automated Adaptive Absolute alchemical Free Energy calculator☆121May 1, 2026Updated last month
- Structure prediction of alternative protein conformations☆84Feb 24, 2025Updated last year
- Diffusion-based all-atom protein generative model.☆236Aug 27, 2025Updated 9 months ago
- FoldBench is a low-homology benchmark spanning proteins, nucleic acids, ligands, and six major interaction types, enabling assessments th…☆126May 9, 2026Updated last month
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 4 months ago
- ProteusAI is a library for the machine learning driven engineering of proteins. The library enables workflows from protein structure pred…☆85Sep 11, 2025Updated 8 months ago
- Chai-1, SOTA model for biomolecular structure prediction☆1,946Apr 11, 2026Updated last month
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆124Jan 28, 2026Updated 4 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆54Nov 4, 2025Updated 7 months ago
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- Plugin for folding sequences directly in PyMOL☆118Aug 4, 2025Updated 10 months ago
- Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and rel…☆264Jul 24, 2025Updated 10 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆222Apr 15, 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.
- Saprot: Protein Language Model with Structural Alphabet (AA+3Di)☆604Mar 8, 2026Updated 3 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆528Mar 22, 2026Updated 2 months ago
- Implementation of DiffDock-Pocket: Diffusion for Pocket-Level Docking with Side Chain Flexibility☆38Jul 16, 2024Updated last year
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆69May 28, 2026Updated last week
- A generalized computational framework for biomolecular modeling.☆424Updated this week
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆60Mar 30, 2026Updated 2 months ago
- ☆810May 18, 2026Updated 3 weeks ago