AspirinCode/AlphaPPImd
Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks
This tool helps computational chemists and structural biologists explore the dynamic behavior of protein-protein complexes without extensive, costly simulations. You provide existing protein-protein complex structures, and it generates new, physically realistic conformations, expanding your understanding of how proteins interact. This is ideal for researchers studying protein function and drug discovery.
No commits in the last 6 months.
Use this if you need to efficiently discover novel conformational states of protein-protein complexes beyond what traditional molecular dynamics simulations can easily provide.
Not ideal if you require direct, atomistic molecular dynamics simulations for detailed kinetic or thermodynamic analysis rather than an expanded set of possible conformations.
Stars
33
Forks
3
Language
Jupyter Notebook
License
MIT
Category
Last pushed
Jun 09, 2024
Commits (30d)
0
Get this data via API
curl "https://pt-edge.onrender.com/api/v1/quality/transformers/AspirinCode/AlphaPPImd"
Open to everyone — 100 requests/day, no key needed. Get a free key for 1,000/day.
Higher-rated alternatives
lucidrains/alphagenome
Implementation of AlphaGenome, Deepmind's updated genomic attention model
BiomedSciAI/biomed-multi-omic
Build foundation model for RNA or DNA data
BioinfoMachineLearning/DeepInteract
A geometric deep learning framework (Geometric Transformers) for predicting protein interface...
Gleghorn-Lab/Protify
Low code molecular property prediction
raimondilab/precogx
A predictor of GPCR couplings with G-proteins/B-arrs using Transformers