BioinfoMachineLearning / FlowDockLinks
A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)
☆126Updated 5 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 3 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☆133Updated 2 months ago
- ☆96Updated last year
- Multi-domain Distribution Learning for De Novo Drug Design☆138Updated last week
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 7 months ago
- Official repository of EnzymeFlow☆98Updated last year
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆165Updated 2 months ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆52Updated last month
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆85Updated last year
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆106Updated 9 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆106Updated last week
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆147Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆87Updated 4 months ago
- A benchmark for 3D biomolecular structure prediction models☆69Updated 8 months ago
- ☆114Updated 6 months ago
- Diffusion model based protein-ligand flexible docking method☆117Updated last year
- ☆236Updated this week
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Updated 2 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆109Updated 5 months ago
- A standardized protein design benchmark for motif-scaffolding problems☆73Updated last week
- Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing☆89Updated 2 years ago
- Pose checks for 3D Structure-based Drug Design methods☆93Updated last year
- ☆84Updated 2 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆56Updated last month
- ☆80Updated last year
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆47Updated 3 months ago
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆47Updated last year