QizhiPei / FABindView external linksLinks
FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
☆138Jul 16, 2025Updated 7 months ago
Alternatives and similar repositories for FABind
Users that are interested in FABind are comparing it to the libraries listed below
Sorting:
- An awesome & curated list of docking papers☆128Jan 2, 2026Updated last month
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- Protein-ligand structure prediction☆238Jul 31, 2025Updated 6 months ago
- Open source code for TankBind. Galixir Tenchnologies☆173Nov 1, 2023Updated 2 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆282Dec 23, 2025Updated last month
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆55Nov 14, 2023Updated 2 years ago
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆104Jul 30, 2024Updated last year
- ☆132Aug 8, 2024Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆535Feb 19, 2025Updated 11 months ago
- ☆80Feb 26, 2024Updated last year
- Plausibility checks for generated molecule poses.☆355Feb 9, 2026Updated last week
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆390Updated this week
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆207Jan 6, 2026Updated last month
- ☆15Dec 4, 2023Updated 2 years ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆232Sep 29, 2025Updated 4 months ago
- ☆32Mar 19, 2023Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆56Oct 17, 2025Updated 3 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆111Aug 13, 2025Updated 6 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Feb 29, 2024Updated last year
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,431May 2, 2025Updated 9 months ago
- ☆17Jun 3, 2024Updated last year
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆55May 28, 2024Updated last year
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆73Mar 27, 2025Updated 10 months ago
- ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models☆39Nov 25, 2024Updated last year
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Dec 27, 2023Updated 2 years ago
- ☆82Jan 8, 2024Updated 2 years ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Dec 8, 2023Updated 2 years ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆89Dec 4, 2023Updated 2 years ago
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆385Nov 16, 2023Updated 2 years ago
- ☆96Oct 15, 2024Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆322Oct 6, 2025Updated 4 months ago
- A Euclidean diffusion model for structure-based drug design.☆485Jun 25, 2025Updated 7 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆87Jul 15, 2025Updated 7 months ago
- ☆16Nov 19, 2023Updated 2 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Aug 17, 2023Updated 2 years ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆53Jul 22, 2025Updated 6 months ago
- Uni-Dock: a GPU-accelerated molecular docking program☆276Dec 15, 2025Updated 2 months ago