Projects in Awesome Lists tagged with binding-affinity
A curated list of projects in awesome lists tagged with binding-affinity .
https://github.com/haddocking/prodigy
Predict the binding affinity of protein-protein complexes from structural data
binding-affinity bioinformatics python3 utrecht-university
Last synced: 21 Jan 2026
https://github.com/astrazeneca/diffabxl
The official implementation of DiffAbXL benchmarked in the paper "Benchmarking Generative Models for Antibody Design".
antibody-design binding-affinity diffusion-models generative-ai graph-neural-networks in-silico-design llm-models log-likelihood
Last synced: 04 Sep 2025
https://github.com/chao1224/neuralmd
NeuralMD for protein-ligand binding simulation
binding binding-affinity ligand md molecular-dynamics molecular-dynamics-simulation protein protein-ligand-binding
Last synced: 16 Apr 2025
https://github.com/bioinfomachinelearning/multicom_ligand
Comprehensive ensembling of protein-ligand structure and affinity prediction methods (CASP16)
binding-affinity deep-learning diffusion-model drug-discovery flow-matching pose-prediction protein-ligand-interactions
Last synced: 18 Feb 2026
https://github.com/luka-kovacevic/moracle
Molecule oracle for predicting clinical viability from binding affinity and historical clinical trial data.
binding-affinity diffusion-models drug-discovery machine-learning streamlit
Last synced: 03 Apr 2025
https://github.com/rmeli/gninatorch-hf
🤗 Hugging Face space for gnina-torch 🔥
3dmol binding-affinity deep-learning gnina huggingface
Last synced: 26 Mar 2025
https://github.com/d-f/binding-affinity
Protein-Ligand binding affinity prediction with Protein LLMs and Graph Attention Networks.
binding-affinity binding-affinity-prediction graph-attention-networks pdb-dataset protein-llm pytorch
Last synced: 28 Mar 2025
