CAODH / SurfDockLinks
SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
☆205Updated last month
Alternatives and similar repositories for SurfDock
Users that are interested in SurfDock are comparing it to the libraries listed below
Sorting:
- Protein-ligand structure prediction☆226Updated last month
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆186Updated 3 weeks ago
- Masif seed paper repository☆157Updated 2 years ago
- ☆137Updated last month
- ☆109Updated last month
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆141Updated last week
- Geometric deep learning method to predict protein binding interfaces from a protein structure.☆142Updated last year
- ☆131Updated 2 months ago
- In silico directed evolution of peptide binders with AlphaFold☆230Updated last month
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆196Updated 4 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆159Updated last month
- Python3 translation of AutoDockTools☆127Updated last year
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆263Updated last year
- Code for ColabDock paper☆144Updated 3 months ago
- ☆123Updated 3 years ago
- Official repo of the modular BioExcel version of HADDOCK☆181Updated last week
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆79Updated 4 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆104Updated 5 months ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆153Updated 5 months ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆315Updated 3 weeks ago
- ☆227Updated last week
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆201Updated 10 months ago
- Official repository for the Deep Docking protocol☆120Updated last year
- Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…☆180Updated 3 years ago
- 🧬 Advanced hybrid language model for directed protein evolution. (NeurIPS 2024)☆131Updated 3 months ago
- ☆172Updated 3 years ago
- Diffusion model based protein-ligand flexible docking method☆110Updated 10 months ago
- ☆115Updated 2 months ago
- open source code for Tencent tFold☆110Updated 5 months ago
- Let LLM run your MDs.☆224Updated 4 months ago