MengwuXiao / GetBox-PyMOL-Plugin
A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.
☆87Updated 5 years ago
Alternatives and similar repositories for GetBox-PyMOL-Plugin:
Users that are interested in GetBox-PyMOL-Plugin are comparing it to the libraries listed below
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆65Updated 3 months ago
- SailVina重构增强版☆87Updated 8 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆41Updated 2 weeks ago
- Official repo of the modular BioExcel version of HADDOCK☆121Updated this week
- Python3 translation of AutoDockTools☆109Updated 7 months ago
- ☆97Updated 2 years ago
- Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready f…☆11Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆125Updated 2 weeks ago
- ☆154Updated 3 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆59Updated 3 months ago
- Set of useful HADDOCK utility scripts☆49Updated 4 months ago
- 好的CADD教程,资源总结☆24Updated 9 months ago
- MM-PBSA method for GROMACS. For full description, please visit homepage:☆67Updated 7 months ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆63Updated 5 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆102Updated last year
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆40Updated 5 months ago
- ☆41Updated 2 years ago
- Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.☆96Updated last year
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆13Updated 2 years ago
- Predict the binding affinity of protein-protein complexes from structural data☆114Updated 3 months ago
- This repository contains the positive-unlabeled learning-based enzyme promiscuity prediction model as described in the paper Deep learnin…☆14Updated 10 months ago
- ☆104Updated 3 months ago
- ☆41Updated last week
- Protein folding in Pymol☆104Updated this week
- ☆58Updated 2 years ago
- ☆27Updated 2 years ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆141Updated 4 months ago
- Easy to get started with molecular dynamics simulation.☆43Updated 2 weeks ago
- AutoDock CrankPep for peptide and disordered protein docking☆45Updated 3 years ago
- A compilation of deep learning methods for protein design☆95Updated 2 years ago