Computer-Aided-Drug-Design / AIDD-TutorialLinks
Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程
☆44Updated 2 years ago
Alternatives and similar repositories for AIDD-Tutorial
Users that are interested in AIDD-Tutorial are comparing it to the libraries listed below
Sorting:
- SailVina重构增强版☆91Updated last year
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆15Updated 2 years ago
- CADD(计算机辅助药物设计)学习资料☆54Updated 2 years ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆96Updated 6 years ago
- ☆167Updated 3 years ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆114Updated last year
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆78Updated 11 months ago
- Official repo of the modular BioExcel version of HADDOCK☆171Updated this week
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆268Updated 3 weeks ago
- AI drug design☆25Updated 8 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆140Updated 3 months ago
- Deep learning and Bayesian approach applied to enzyme turnover number for the improvement of enzyme-constrained genome-scale metabolic mo…☆168Updated 2 years ago
- ☆77Updated last year
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆78Updated 3 months ago
- predicting peptide-protein interactions☆132Updated last year
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆109Updated 9 months ago
- Let LLM run your MDs.☆217Updated 3 months ago
- Awesome AI-aided Drug Discovery☆23Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆200Updated 3 weeks ago
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆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
- a deep learning architecture for protein-ligand binding affinity prediction☆75Updated last year
- Install alphafold on the local machine, get out of docker.☆102Updated 3 years ago
- ☆50Updated 2 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆70Updated 3 months ago
- an integrated tool for molecular docking and virtual screening☆69Updated last month
- ☆31Updated 3 years ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆50Updated 6 months ago
- PyMOL extension to color AlphaFold structures by confidence (pLDDT).☆106Updated last year
- Rifdock Library for Conformational Search☆160Updated last year