HBioquant / DiffBindFRLinks
Diffusion model based protein-ligand flexible docking method
☆111Updated 10 months ago
Alternatives and similar repositories for DiffBindFR
Users that are interested in DiffBindFR are comparing it to the libraries listed below
Sorting:
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆98Updated last month
- ☆123Updated last year
- ☆92Updated 11 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆142Updated 3 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆76Updated 3 weeks ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 2 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆74Updated 2 weeks ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆117Updated 2 months ago
- ☆77Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆72Updated last month
- An accurate and trainable end-to-end protein-ligand docking framework☆105Updated 5 months ago
- Python3 translation of AutoDockTools☆127Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- ☆75Updated 7 months ago
- ☆84Updated last year
- ☆107Updated 2 years ago
- ☆42Updated last year
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆46Updated 7 months ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆100Updated 2 weeks ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆63Updated 2 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated last month
- ☆204Updated last month
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆114Updated 10 months ago
- ☆105Updated 2 years ago
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated last year
- ☆78Updated last year
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- ☆27Updated 11 months ago