daiyun02211 / awesome-AIDD
Awesome AI-aided Drug Discovery
☆15Updated 7 months ago
Alternatives and similar repositories for awesome-AIDD:
Users that are interested in awesome-AIDD are comparing it to the libraries listed below
- AIDD Tutorial Files,人工智能药物设计教程相关文件☆13Updated 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…☆59Updated last year
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆65Updated 3 months ago
- ☆154Updated 3 years ago
- Convenience Python APIs for antibody numbering using ANARCI☆90Updated last month
- Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready f…☆11Updated last year
- ☆66Updated last year
- Fitness landscapes for antibodies☆57Updated this week
- 好的CADD教程,资源总结☆24Updated 9 months ago
- ☆97Updated 2 years ago
- ☆58Updated 2 years ago
- ☆68Updated 4 years ago
- A compilation of deep learning methods for protein design☆95Updated 2 years ago
- Download pdb/protein structures using Uniprot id; This script will download related PDB files, extract chains(Optional), remove duplicate…☆40Updated 5 months ago
- Python3 translation of AutoDockTools☆109Updated 7 months ago
- A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.☆87Updated 5 years ago
- ☆48Updated 11 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆60Updated 8 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆125Updated 2 weeks ago
- ☆100Updated 5 months ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆102Updated last year
- Pro-FSFP: Few-Shot Protein Fitness Prediction☆72Updated last week
- ☆19Updated 7 months ago
- ☆15Updated 11 months ago
- Code for running RFdiffusion☆10Updated 10 months ago
- open source code for Tencent tFold☆71Updated this week
- ☆90Updated 6 months ago
- A bunch of shell utilities for dealing the silent files☆54Updated last month
- Help file for running the scripts to learn and evaluate graph convolution networks for epitope and paratope prediction☆32Updated 4 years ago
- ☆33Updated last year