HBioquant / DiffBindFRLinks
Diffusion model based protein-ligand flexible docking method
☆114Updated last year
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…☆101Updated 3 months ago
- ☆78Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆155Updated this week
- ☆125Updated last year
- Sidechain conditioning and modeling for full-atom protein sequence design☆126Updated 4 months ago
- ☆95Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆84Updated last month
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 4 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Python3 translation of AutoDockTools☆129Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- An accurate and trainable end-to-end protein-ligand docking framework☆113Updated 7 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆77Updated 3 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated last month
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆83Updated 7 months ago
- ☆37Updated 4 months ago
- A universal structure-directed lead optimization☆60Updated 7 months ago
- ☆81Updated 9 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆125Updated 2 years ago
- ☆87Updated last year
- ☆109Updated 2 years ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆90Updated 2 weeks ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆46Updated 2 years ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆67Updated 4 months ago
- ☆114Updated 2 years ago
- ☆90Updated last month
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- ☆70Updated last year
- ☆112Updated 3 months ago
- ☆42Updated last year