daiyun02211 / awesome-AIDDLinks
Awesome AI-aided Drug Discovery
☆30Updated last year
Alternatives and similar repositories for awesome-AIDD
Users that are interested in awesome-AIDD are comparing it to the libraries listed below
Sorting:
- AIDD Tutorial Files，人工智能药物设计教程相关文件☆17Updated 3 years ago
- SailVina重构增强版☆96Updated last year
- open source code for Tencent tFold☆132Updated 9 months ago
- TEIM: TCR-Epitope Interaction Modeling☆55Updated 2 years ago
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆19Updated last year
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆124Updated 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…☆77Updated 2 years ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆113Updated 6 years ago
- predicting peptide-protein interactions☆136Updated 2 years ago
- ☆177Updated 4 years ago
- Official repo of the modular BioExcel version of HADDOCK☆214Updated last week
- Predict the binding affinity of protein-protein complexes from structural data☆165Updated 2 months ago
- Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程☆57Updated 3 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆52Updated 5 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆224Updated 2 months ago
- Rosetta翻译☆27Updated 3 years ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆84Updated 8 months ago
- ☆54Updated last year
- CADD（计算机辅助药物设计）学习资料☆75Updated 2 years ago
- ☆135Updated 3 years ago
- ☆58Updated 3 years ago
- Fast deep learning methods for large-scale protein-protein interaction screening☆111Updated 4 months ago
- Convenience Python APIs for antibody numbering using ANARCI☆111Updated 7 months ago
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated last year
- Code for ColabDock paper☆150Updated 7 months ago
- AI drug design☆34Updated last year
- A command-line interface and Python library for generating AlphaFold3 input files.☆38Updated 6 months ago
- ☆65Updated 3 years ago
- contrastive learning and pre-trained encoder for protein-ligand binding sites prediction☆36Updated 5 months ago
- 好的CADD教程，资源总结☆25Updated last year