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☆85Updated 9 months ago
- ☆181Updated 4 years ago
- Rosetta翻译☆27Updated 3 years ago
- ☆141Updated 3 years ago
- ☆82Updated 2 years ago
- SailVina重构增强版☆99Updated last year
- open source code for Tencent tFold☆142Updated 10 months ago
- ☆76Updated 5 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…☆78Updated 2 years ago
- ☆19Updated 2 years ago
- A Tool to process and visualize the results of molecular dynamics simulations(GROMACS).☆92Updated 3 months ago
- 好的CADD教程,资源总结☆25Updated last year
- ☆146Updated 6 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆165Updated 2 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 7 months ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆93Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆229Updated 4 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆131Updated 2 years ago
- An accurate and trainable end-to-end protein-ligand docking framework☆119Updated 10 months ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆117Updated 6 years ago
- Code for running RFdiffusion☆15Updated 3 months ago
- Awesome AI-aided Drug Discovery☆33Updated last year
- Diffusion model based protein-ligand flexible docking method☆117Updated last year
- VenusFSFP: Few-Shot Protein Fitness Prediction☆106Updated 2 months ago
- CADD(计算机辅助药物设计)学习资料☆77Updated 2 years ago
- Code for ColabDock paper☆151Updated 9 months ago
- Official repository for the Deep Docking protocol☆125Updated 2 years ago
- A command-line interface and Python library for generating AlphaFold3 input files.☆38Updated last month
- Fitness landscapes for antibodies☆146Updated last month
- Predict the binding affinity of protein-protein complexes from structural data☆172Updated 4 months ago