beikwx / SailVina
SailVina重构增强版
☆90Updated 11 months ago
Alternatives and similar repositories for SailVina:
Users that are interested in SailVina are comparing it to the libraries listed below
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆91Updated 5 years ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆72Updated 3 weeks ago
- ☆157Updated 3 years ago
- Official repo of the modular BioExcel version of HADDOCK☆132Updated this week
- Predict the binding affinity of protein-protein complexes from structural data☆120Updated 5 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆160Updated 2 weeks ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆249Updated 3 weeks ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆71Updated 7 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆110Updated last year
- Code for ColabDock paper☆137Updated 5 months ago
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆41Updated 8 months ago
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆13Updated 2 years ago
- ☆105Updated 2 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆61Updated last year
- predicting peptide-protein interactions☆128Updated last year
- Easy to get started with molecular dynamics simulation.☆52Updated last month
- Python3 translation of AutoDockTools☆114Updated 10 months ago
- Let LLM run your MDs.☆164Updated last week
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆85Updated 6 months ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆43Updated 3 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.☆100Updated last year
- ☆65Updated last year
- Rosetta翻译☆19Updated 2 years ago
- Official repository for the Deep Docking protocol☆118Updated last year
- Accurately speed up AutoDock Vina☆145Updated last year
- Rifdock Library for Conformational Search☆152Updated 10 months 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
- (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆63Updated 2 years ago
- ☆44Updated 2 years ago
- ☆123Updated last year