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:
- ☆33Updated last year
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆70Updated last year
- ☆37Updated 2 years ago
- Fully automated high-throughput MD pipeline☆63Updated last month
- ☆29Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- ☆92Updated 5 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆36Updated 3 weeks ago
- A Consensus Docking Plugin for PyMOL☆75Updated last year
- Ligand-Protein Interaction Mapping☆57Updated 3 months ago
- 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
- ☆50Updated 2 months ago
- Open-source online virtual screening tools for large databases☆28Updated last year
- MD pharmacophores and virtual screening☆33Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆71Updated 4 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- Computational Chemistry Workflows☆54Updated 3 years ago
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated 3 weeks ago
- The code for the QuickVina homepage.☆33Updated 2 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 6 years ago
- ☆57Updated last year
- 3D pharmacophore signatures and fingerprints☆106Updated 3 months ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 3 years ago
- ☆27Updated 2 years ago
- This is a machine-learning based protein-ligand scoring function.☆51Updated 4 years ago
- ☆38Updated 4 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated 2 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆66Updated this week