shuix007

DRKG

A knowledge graph and a set of tools for drug repurposing

cheatsheets

Official Matplotlib cheat sheets

chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

EIP4NNPotentials

Code and experiments accompanying our paper Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties at NeurIPS 2022

HMGNN

Heterogeneous Molecular Graph Neural Network

KDDCup2021

KimNLP

nequip-layers

Simplified nequip like layers for creating nequip-like models

PhysNet

Code for training PhysNet models

SLIM

SLIM model for top_n recommendation

shuix007/HMGNN

Heterogeneous Molecular Graph Neural Network

shuix007/SLIM

SLIM model for top_n recommendation

shuix007/EIP4NNPotentials

Code and experiments accompanying our paper Injecting Domain Knowledge from Empirical Interatomic Potentials to Neural Networks for Predicting Material Properties at NeurIPS 2022

shuix007/cheatsheets

Official Matplotlib cheat sheets

shuix007/chgnet

Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

shuix007/KDDCup2021

shuix007/KimNLP

shuix007/nequip-layers

Simplified nequip like layers for creating nequip-like models

shuix007/PhysNet

Code for training PhysNet models