NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
☆332Oct 6, 2025Updated 9 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☆301Dec 23, 2025Updated 7 months ago
- Protein-ligand structure prediction☆241Jul 31, 2025Updated last year
- ☆814May 18, 2026Updated 2 months ago
- Plausibility checks for generated molecule poses.☆394Mar 7, 2026Updated 4 months ago
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,555May 2, 2025Updated 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.
- Diffusion model based protein-ligand flexible docking method☆120Oct 30, 2024Updated last year
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆536Mar 22, 2026Updated 4 months ago
- Public RFDiffusionAA repo☆482Jul 9, 2024Updated 2 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆547Feb 19, 2025Updated last year
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆240Jul 6, 2026Updated 3 weeks ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆190Oct 7, 2025Updated 9 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆255Sep 29, 2025Updated 10 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆144Nov 11, 2025Updated 8 months ago
- Toward High-Accuracy Open-Source Biomolecular Structure Prediction.☆2,015Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Chai-1, SOTA model for biomolecular structure prediction☆1,974Jun 30, 2026Updated last month
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated 2 years ago
- A benchmark for 3D biomolecular structure prediction models☆69May 11, 2025Updated last year
- ☆258Feb 12, 2026Updated 5 months ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆142Sep 3, 2025Updated 10 months ago
- ☆92Sep 25, 2024Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆177Jun 25, 2026Updated last month
- Protein Ligand INteraction Dataset and Evaluation Resource☆300Updated this week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Official repository for DiffPepBuilder and DiffPepDock tools☆127Oct 24, 2025Updated 9 months ago
- Fast protein backbone generation with SE(3) flow matching.☆326Jul 19, 2024Updated 2 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆118Aug 13, 2025Updated 11 months ago
- ☆127Jul 18, 2025Updated last year
- A generalized computational framework for biomolecular modeling.☆438Jul 17, 2026Updated 2 weeks ago
- Making Protein Design accessible to all via Google Colab!☆925Apr 6, 2026Updated 3 months ago
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆72Apr 13, 2026Updated 3 months ago
- Inference code for scalable emulation of protein equilibrium ensembles with generative deep learning☆859Updated this week
- AI-powered ab initio biomolecular dynamics simulation☆577Feb 18, 2025Updated last year
- 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.
- ☆80Feb 26, 2024Updated 2 years ago
- ☆611Feb 6, 2025Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆706Jul 3, 2026Updated 3 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆93Oct 6, 2025Updated 9 months ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆261Nov 5, 2025Updated 8 months ago
- Official repository for the Boltz biomolecular interaction models☆4,145May 29, 2026Updated 2 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆101Jul 29, 2024Updated 2 years ago