beikwx / SailVina
SailVina重构增强版
☆83Updated 7 months ago
Related projects ⓘ
Alternatives and complementary repositories for SailVina
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆85Updated 5 years ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆58Updated last month
- ☆148Updated 3 years ago
- ☆84Updated 2 years ago
- This repository contains the positive-unlabeled learning-based enzyme promiscuity prediction model as described in the paper Deep learnin…☆14Updated 8 months ago
- ☆50Updated 8 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆99Updated last year
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆37Updated 3 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆36Updated 2 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆110Updated last month
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆66Updated last month
- ☆94Updated last month
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆62Updated 3 months ago
- Rifdock Library for Conformational Search☆143Updated 6 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.☆94Updated last year
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆10Updated 2 years ago
- Official repo of the modular BioExcel version of HADDOCK☆112Updated this week
- ☆25Updated 2 years ago
- 好的CADD教程,资源总结☆23Updated 7 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆59Updated last month
- Protein folding in Pymol☆95Updated 3 months ago
- In silico directed evolution of peptide binders with AlphaFold☆126Updated last month
- Rosetta Funclib☆20Updated 4 years ago
- Python3 translation of AutoDockTools☆100Updated 5 months ago
- Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic mo…☆132Updated last year
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆224Updated 2 months ago
- ☆96Updated 3 weeks ago
- Interface for AutoDock, molecule parameterization☆204Updated this week
- Accurately speed up AutoDock Vina☆131Updated last year
- Convenience Python APIs for antibody numbering using ANARCI☆84Updated last month