jamesgleave / Deep-Docking-NonAutomatedLinks
☆51Updated 2 years ago
Alternatives and similar repositories for Deep-Docking-NonAutomated
Users that are interested in Deep-Docking-NonAutomated are comparing it to the libraries listed below
Sorting:
- ☆37Updated 2 years ago
- ☆33Updated last year
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆69Updated last year
- ☆92Updated 4 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated 3 weeks ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆34Updated 5 months ago
- Fully automated high-throughput MD pipeline☆61Updated 3 weeks ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- De novo drug design with deep interactome learning☆36Updated last month
- Ligand-Protein Interaction Mapping☆56Updated 2 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- A Consensus Docking Plugin for PyMOL☆74Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆70Updated 3 months ago
- ☆57Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 3 years ago
- Speed virtual screening by 50X☆94Updated 2 years ago
- ☆48Updated 2 months ago
- ☆28Updated last year
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- ☆32Updated 2 weeks ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- ☆16Updated 5 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆63Updated 3 months ago
- Open-source online virtual screening tools for large databases☆27Updated last year
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- ☆39Updated last year
- Easy to get started with molecular dynamics simulation.☆59Updated last month