Bingru Xin's Projects
A machine learning implementation of an interpretable model for membrane separation performance prediction of COFs materials.
Shared repo for trajectory analysis and infrastructure development
Public development project of the LAMMPS MD software package
MatDeepLearn, package for graph neural networks in materials chemistry
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Crystal graph convolutional neural networks for predicting material properties.
pv cells detection fault
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
A Topology Layer for Machine Learning : Persistent Homology + Features for PyTorch
Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes
AcadHomepage: A Modern and Responsive Academic Personal Homepage