Computer-Aided-Drug-Design / AIDD-Tutorial-FilesLinks
AIDD Tutorial Files,人工智能药物设计教程相关文件
☆17Updated 3 years ago
Alternatives and similar repositories for AIDD-Tutorial-Files
Users that are interested in AIDD-Tutorial-Files are comparing it to the libraries listed below
Sorting:
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆81Updated 6 months ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 4 months ago
- ☆128Updated 3 years ago
- ☆174Updated 4 years ago
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆52Updated 3 months ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆106Updated 6 years ago
- Awesome AI-aided Drug Discovery☆29Updated last year
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆83Updated 2 weeks ago
- Easy to get started with molecular dynamics simulation.☆62Updated 4 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.☆112Updated 2 years ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆121Updated 2 years ago
- A universal structure-directed lead optimization☆57Updated 7 months ago
- 好的CADD教程,资源总结☆25Updated last year
- ☆78Updated last year
- An accurate and trainable end-to-end protein-ligand docking framework☆113Updated 7 months ago
- ☆57Updated 3 years ago
- Rosetta翻译☆25Updated 2 years ago
- ☆72Updated 2 months ago
- Predict the binding affinity of protein-protein complexes from structural data☆150Updated last month
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆18Updated last year
- Python3 translation of AutoDockTools☆129Updated last year
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆154Updated last week
- ☆139Updated 3 months ago
- SailVina重构增强版☆94Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 months ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆75Updated 2 years ago
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆128Updated last year
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆101Updated 2 months ago
- ☆62Updated 3 years ago
- ☆24Updated 9 months ago