Pinned Repositories
FGNN
Ligand binding affinity prediction with fusion of graph neural networks and 3D structure-based complex graph
GXLE
Prediction of Binding Free Energy of Protein–Ligand Complexes with a Hybrid Molecular Mechanics/Generalized Born Surface Area and Machine Learning Method
QDL-DTA
Prediction of Protein-Ligand Binding Affinity by a Hybrid Quantum-Classical Deep Learning Algorithm
XLPFE
XLPFE: a Simple and Effective Machine Learning Scoring Function for Protein-ligand Scoring and Ranking
LinaDongXMU's Repositories
LinaDongXMU/GXLE
Prediction of Binding Free Energy of Protein–Ligand Complexes with a Hybrid Molecular Mechanics/Generalized Born Surface Area and Machine Learning Method
LinaDongXMU/XLPFE
XLPFE: a Simple and Effective Machine Learning Scoring Function for Protein-ligand Scoring and Ranking
LinaDongXMU/FGNN
Ligand binding affinity prediction with fusion of graph neural networks and 3D structure-based complex graph
LinaDongXMU/QDL-DTA
Prediction of Protein-Ligand Binding Affinity by a Hybrid Quantum-Classical Deep Learning Algorithm