gregory-kyro

CardioGenAI

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

ChargeFW2

The core part of Atomic Charge Calculator II.

ChemSpaceAL

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

Curriculum_Vitae

eigenvector_centrality

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

HAC-Net

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

molecular_dynamics_analyses

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

QCNNs

Quantum-Convolutional-Layers

Building a custom class of quantum convolutional networks for feature pre-processing

quantum-neural-network

Qiskit Hackathon Korea 2021 Community Choice Award Winner : Exploring Hybrid quantum-classical Neural Networks with PyTorch and Qiskit

gregory-kyro/HAC-Net

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

gregory-kyro/ChemSpaceAL

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

gregory-kyro/CardioGenAI

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

gregory-kyro/molecular_dynamics_analyses

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

gregory-kyro/ChargeFW2

The core part of Atomic Charge Calculator II.

gregory-kyro/Curriculum_Vitae

gregory-kyro/eigenvector_centrality

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

gregory-kyro/QCNNs

gregory-kyro/Quantum-Convolutional-Layers

Building a custom class of quantum convolutional networks for feature pre-processing

gregory-kyro/quantum-neural-network

Qiskit Hackathon Korea 2021 Community Choice Award Winner : Exploring Hybrid quantum-classical Neural Networks with PyTorch and Qiskit