itWangCode / AI-Drug-Discovery-DesignLinks
AI drug design
☆21Updated 6 months ago
Alternatives and similar repositories for AI-Drug-Discovery-Design
Users that are interested in AI-Drug-Discovery-Design are comparing it to the libraries listed below
Sorting:
- Application of AIGC in drug design☆41Updated 7 months ago
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆14Updated 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…☆67Updated last year
- ☆167Updated 3 years ago
- Awesome AI-aided Drug Discovery☆23Updated last year
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆76Updated 2 months ago
- SailVina重构增强版☆92Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆43Updated 4 months ago
- Rosetta翻译☆22Updated 2 years ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆194Updated 3 months ago
- 🏭 Easy data acquisition, benchmark resources, PLM fine-tuning for bio-researchers. (ACL Demo 2025)☆94Updated 3 weeks ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆96Updated 6 years ago
- ☆113Updated 10 months ago
- 小白入门DTA方向,GraphDTA作为经典的DTA模型,对于python基础不好,深度学习代码实操不强者,本github将代码细致的进行注释阐述,旨在记录学习过程,帮助更多入门者尽快入门!☆22Updated 2 years ago
- predicting peptide-protein interactions☆132Updated last year
- ☆63Updated 3 weeks ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆126Updated 2 weeks ago
- open source code for Tencent tFold☆101Updated 3 months ago
- Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程☆44Updated 2 years ago
- CADD(计算机辅助药物设计)学习资料☆52Updated 2 years ago
- Easy to get started with molecular dynamics simulation.☆56Updated last week
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- Code for ColabDock paper☆141Updated last month
- Official repository for the Deep Docking protocol☆120Updated last year
- ☆12Updated last year
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆99Updated 8 months ago
- GNN trained to predict changes in thermodynamic stability for protein point mutants☆173Updated 4 months ago
- ☆130Updated 8 months ago
- ☆66Updated 2 years ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆113Updated last year