#

binding-affinity-prediction

Here are 4 public repositories matching this topic...

QSAR-activity-cliff-experiments

MarkusFerdinandDablander / QSAR-activity-cliff-experiments

Exploring QSAR Models for Activity-Cliff Prediction

machine-learning deep-learning k-nearest-neighbours morgan-fingerprints supervised-machine-learning random-forests circular-fingerprints graph-neural-networks molecular-representation multilayer-perceptrons qsar-models extended-connectivity-fingerprints molecular-property-prediction graph-isomorphism-networks activity-cliffs activity-cliff-prediction physicochemical-descriptors binding-affinity-prediction

Updated May 17, 2024
Jupyter Notebook

radh55sh / BAPULM

Binding affinity prediction for drug discovery

drug-discovery protein-ligand-binding-affinity state-of-the-art-models binding-affinity-prediction

Updated Aug 28, 2025
Python

bigict / tcr_pmhc

Predicting neoantigen and T-cell receptor binding by integrating structural context and sequence evolutionary conservation

bioinformatics artificial-intelligence protein-folding protein-fitness binding-affinity-prediction

Updated Sep 11, 2025
Python

d-f / binding-affinity

Protein-Ligand binding affinity prediction with Protein LLMs and Graph Attention Networks.

pytorch graph-attention-networks binding-affinity pdb-dataset protein-llm binding-affinity-prediction

Updated May 4, 2025
Python

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