RyanZR / labodockLinks
LABODOCK: A Colab-Based Molecular Docking Tools
☆48Updated 6 months ago
Alternatives and similar repositories for labodock
Users that are interested in labodock are comparing it to the libraries listed below
Sorting:
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆67Updated 3 years ago
- A Consensus Docking Plugin for PyMOL☆75Updated last year
- ☆51Updated 2 years ago
- Official repository for the Deep Docking protocol☆120Updated last year
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆71Updated 4 months ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆122Updated 2 years ago
- A python toolkit for analysing membrane protein-lipid interactions.☆64Updated 2 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 4 years ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆70Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆55Updated 2 weeks ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- Compilation of chemoinformatics and machine learning techniques☆59Updated 2 weeks ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆69Updated 7 months ago
- PandaDock: A Physics-Based Molecular Docking using Python☆72Updated last week
- Simple protein-ligand complex simulation with OpenMM☆86Updated last year
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆65Updated 5 months ago
- Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.☆108Updated last year
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆70Updated last year
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆80Updated last year
- Ligand-Protein Interaction Mapping☆57Updated 3 months ago
- Easy to get started with molecular dynamics simulation.☆60Updated last month
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆103Updated 9 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆52Updated this week
- implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking☆67Updated 4 months ago
- Speed virtual screening by 50X☆94Updated 2 years ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆112Updated 9 months ago
- Molecular Dynamics for Experimentalists☆62Updated last week
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆142Updated last month
- 3D pharmacophore signatures and fingerprints☆106Updated 3 months ago