BioinfoMachineLearning / FlowDockLinks
A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)
☆120Updated 4 months ago
Alternatives and similar repositories for FlowDock
Users that are interested in FlowDock are comparing it to the libraries listed below
Sorting:
- Official repository for DiffPepBuilder and DiffPepDock tools☆114Updated 2 months ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆91Updated 7 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆132Updated 2 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆103Updated last year
- Official repository of EnzymeFlow☆97Updated last year
- Multi-domain Distribution Learning for De Novo Drug Design☆135Updated last month
- ☆97Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆163Updated last month
- A benchmark for 3D biomolecular structure prediction models☆67Updated 8 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆50Updated last month
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated 2 years ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆143Updated last year
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 7 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆104Updated 9 months ago
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆88Updated 2 years ago
- A standardized protein design benchmark for motif-scaffolding problems☆72Updated 3 weeks ago
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆74Updated last month
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆81Updated 5 months ago
- ☆114Updated 3 years ago
- Pose checks for 3D Structure-based Drug Design methods☆92Updated last year
- ☆59Updated 6 months ago
- Code and Pre-Trained Models for "AttnPacker: An end-to-end deep learning method for protein side-chain packing"☆90Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated 2 years ago
- ☆80Updated last year
- composite-objective protein design☆134Updated last month
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated 3 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆47Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆84Updated last year