BioinfoMachineLearning / FlowDockLinks
A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)
☆91Updated last month
Alternatives and similar repositories for FlowDock
Users that are interested in FlowDock are comparing it to the libraries listed below
Sorting:
- Multi-domain Distribution Learning for De Novo Drug Design☆87Updated 2 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆122Updated 6 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆48Updated 2 weeks ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 4 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆106Updated 3 months ago
- ☆89Updated 7 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆123Updated this week
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆94Updated 10 months ago
- ☆41Updated last year
- Official repository of EnzymeFlow☆92Updated 5 months ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆92Updated this week
- ☆79Updated last year
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆71Updated this week
- ☆40Updated last year
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆43Updated 6 months ago
- Diffusion model based protein-ligand flexible docking method☆105Updated 7 months ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆75Updated 11 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆47Updated 3 weeks ago
- ☆68Updated 11 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆66Updated last month
- ☆107Updated 2 years ago
- A benchmark for 3D biomolecular structure prediction models☆60Updated 3 weeks ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆59Updated last year
- ☆94Updated this week
- ☆113Updated 9 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆90Updated last month
- Pose checks for 3D Structure-based Drug Design methods☆81Updated 7 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Dataset and package for working with protein-protein interactions in 3D☆91Updated last month
- An accurate and trainable end-to-end protein-ligand docking framework☆89Updated 2 months ago