wangyu-sd

RetroExplainer

RetroExplainer: A chemical knowledge and deep-leaning guided molecular assembly approach for retrosynthesis prediction with quantitative interpretability

MolCAP

Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning

MolR

Chemical-Reaction-Aware Molecule Representation Learning

rxn_yld

awesome-materials-informatics

Curated list of known efforts in materials informatics = modern materials science

CIF_Json_Parser

A simple python code for CIF-Json conversion

wangyu-sd.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes