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
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 2 months ago
- ☆33Updated last year
- ☆93Updated 6 months ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆72Updated last year
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- ☆30Updated last year
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆24Updated 3 years ago
- Fully automated high-throughput MD pipeline☆67Updated last week
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆72Updated 4 months ago
- ☆27Updated 2 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆37Updated last month
- ☆57Updated last year
- Ligand-Protein Interaction Mapping☆59Updated 3 months ago
- ☆50Updated 3 months ago
- Simple protein-ligand complex simulation with OpenMM☆87Updated last year
- This is a machine-learning based protein-ligand scoring function.☆51Updated 4 years ago
- Scripts to do docking, single virtual screening, and etc.☆20Updated last year
- RF-Score-VS binary☆31Updated 6 years ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆76Updated last month
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 3 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆41Updated last month
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 4 years ago
- A Consensus Docking Plugin for PyMOL☆75Updated last year
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated last year
- ☆45Updated 5 months ago