3 results found Sort:

haddocking
prodigy haddocking
26
110
apache-2.0
16
Predict the binding affinity of protein-protein complexes from structural data
python3 bioinformatics binding-affinity utrecht-university
Created 2015-06-17
98 commits to main branch, last one 23 days ago
huankoh
PSICHIC huankoh
12
81
apache-2.0
1
PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
drugdiscovery binding-affinity functional-effects protein-ligand-interactions
Created 2023-09-15
48 commits to main branch, last one 4 months ago
AstraZeneca
DiffAbXL AstraZeneca
2
34
apache-2.0
4
The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs", formerly titled "Benchmarking Generative Models for Antibody D...
llm-models generative-ai log-likelihood antibody-design binding-affinity diffusion-models in-silico-design graph-neural-networks
Created 2024-10-08
14 commits to master branch, last one 13 days ago