Popular repositories

1. HAC-Net HAC-Net Public

   HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction

   Python 47 7

2. ChemSpaceAL ChemSpaceAL Public

   ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation

   Jupyter Notebook 13 1

3. CardioGenAI CardioGenAI Public

   CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability

   Python 3 3

4. molecular_dynamics_analyses molecular_dynamics_analyses Public

   This repository contains the code to perform RMSD, RMSF, and PCA to study protein dynamics

   Python 2 1

5. eigenvector_centrality eigenvector_centrality Public

   This repository contains python code to perform the eigenvector centrality method for characterizing information transfer in proteins

   Python

6. QCNNs QCNNs Public

   Forked from DicksonWu654/QCNNs

   Jupyter Notebook