NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
☆330Oct 6, 2025Updated 8 months ago
Alternatives and similar repositories for NeuralPLexer
Users that are interested in NeuralPLexer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 5 months ago
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 10 months ago
- ☆811May 18, 2026Updated last month
- Plausibility checks for generated molecule poses.☆381Mar 7, 2026Updated 3 months ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,529May 2, 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.
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆530Mar 22, 2026Updated 2 months ago
- Public RFDiffusionAA repo☆482Jul 9, 2024Updated last year
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆545Feb 19, 2025Updated last year
- Sidechain conditioning and modeling for full-atom protein sequence design☆141Nov 11, 2025Updated 7 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆187Oct 7, 2025Updated 8 months ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆229Jun 11, 2026Updated last week
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆1,961May 6, 2026Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆251Sep 29, 2025Updated 8 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Chai-1, SOTA model for biomolecular structure prediction☆1,949Apr 11, 2026Updated 2 months ago
- A benchmark for 3D biomolecular structure prediction models☆69May 11, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated last year
- ☆92Sep 25, 2024Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆57Dec 27, 2023Updated 2 years ago
- Protein Ligand INteraction Dataset and Evaluation Resource☆294May 28, 2026Updated 3 weeks ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆174Feb 6, 2026Updated 4 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆137Sep 3, 2025Updated 9 months ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆127Oct 24, 2025Updated 7 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.
- Fast protein backbone generation with SE(3) flow matching.☆326Jul 19, 2024Updated last year
- ☆123Jul 18, 2025Updated 11 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆117Aug 13, 2025Updated 10 months ago
- ☆586Feb 6, 2025Updated last year
- Official repository for the Boltz biomolecular interaction models☆4,036May 29, 2026Updated 3 weeks ago
- Making Protein Design accessible to all via Google Colab!☆916Apr 6, 2026Updated 2 months ago
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆72Apr 13, 2026Updated 2 months ago
- User friendly and accurate binder design pipeline☆1,134May 11, 2026Updated last month
- AI-powered ab initio biomolecular dynamics simulation☆575Feb 18, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆80Feb 26, 2024Updated 2 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆689Oct 30, 2025Updated 7 months ago
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆222Apr 15, 2025Updated last year
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆99Jul 29, 2024Updated last year
- ☆74Feb 13, 2026Updated 4 months ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 7 months ago
- ☆150Jul 16, 2025Updated 11 months ago