Pinned Repositories
chgnet
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
smol
Statistical Mechanics on Lattices
sparse-lm
Sparse Linear Regression Models
atomate
Customized atomate for PZ implementation
atomistic-simulation-tutorial
Atomistic simulation hands on tutorial on Matlantis
bamboo
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.
cace
cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
drxnet
A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt cathodes (DRX).
zhongpc's Repositories
zhongpc/drxnet
A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt cathodes (DRX).
zhongpc/atomate
Customized atomate for PZ implementation
zhongpc/atomistic-simulation-tutorial
Atomistic simulation hands on tutorial on Matlantis
zhongpc/bamboo
BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field tailored for accurate and practical electrolyte simulations.
zhongpc/cace
zhongpc/cdvae
An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
zhongpc/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
zhongpc/CrabNet
Predict materials properties using only the composition information!
zhongpc/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
zhongpc/gdynet
Unsupervised learning of atomic scale dynamics from molecular dynamics.
zhongpc/m3gnet
Universal material graph interatomic potential with three-body interactions
zhongpc/NeuralForceField
Neural Network Force Field based on PyTorch
zhongpc/OCEAN
BSE code for core spectroscopy
zhongpc/pymatgen
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.
zhongpc/zhongpc.github.io
Peichen Website