FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
☆144Jul 16, 2025Updated 11 months ago
Alternatives and similar repositories for FABind
Users that are interested in FABind are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An awesome & curated list of docking papers☆140Jan 2, 2026Updated 6 months ago
- Diffusion model based protein-ligand flexible docking method☆117Oct 30, 2024Updated last year
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 11 months ago
- Open source code for TankBind. Galixir Tenchnologies☆184Nov 1, 2023Updated 2 years ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆55Nov 14, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆42Feb 8, 2024Updated 2 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆297Dec 23, 2025Updated 6 months ago
- ☆142Aug 8, 2024Updated last year
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆546Feb 19, 2025Updated last year
- ☆17Jun 3, 2024Updated 2 years ago
- ☆15Dec 4, 2023Updated 2 years ago
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆232Jun 24, 2026Updated 2 weeks ago
- ☆80Feb 26, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆56May 28, 2024Updated 2 years ago
- Plausibility checks for generated molecule poses.☆381Mar 7, 2026Updated 4 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Feb 29, 2024Updated 2 years ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆253Sep 29, 2025Updated 9 months ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆61Mar 30, 2026Updated 3 months ago
- Chemical Science 2023: An equivariant generative framework for molecular graph-structure Co-design☆10Jun 18, 2023Updated 3 years ago
- Open-source docking pipeline leveraging pairwise statistics☆15Jul 26, 2024Updated last year
- ☆34Mar 19, 2023Updated 3 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆438May 20, 2026Updated last month
- 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.
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,535May 2, 2025Updated last year
- ☆17Nov 19, 2023Updated 2 years 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
- BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)☆127Sep 14, 2024Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆57Dec 27, 2023Updated 2 years ago
- ☆84Jan 8, 2024Updated 2 years ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆90Dec 4, 2023Updated 2 years ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆32Dec 8, 2023Updated 2 years ago
- ☆100Oct 15, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models☆39Nov 25, 2024Updated last year
- Uni-Dock: a GPU-accelerated molecular docking program☆303Jun 30, 2026Updated last week
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆36Aug 17, 2023Updated 2 years ago
- Trained caffe models☆104Sep 18, 2023Updated 2 years ago
- ☆14Mar 2, 2023Updated 3 years ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆331Oct 6, 2025Updated 9 months ago
- ☆20Feb 26, 2021Updated 5 years ago