Yuyang Wang

Molecular contrastive learning of representations via graph neural networks

Yuyang Wang, Jianren Wang, Zhonglin Cao et al. · Nature Machine Intelligence · 2022 · 723 citations · Full text

Graph Neural Networks, Systems Biology, Molecular Property +2

TransPolymer: a Transformer-based language model for polymer property predictions

Changwen Xu, Yuyang Wang, Amir Barati Farimani · npj Computational Materials · 2023 · 160 citations · Full text

Artificial Intelligence, Structured Prediction, Llm Fine-tuning +22

MOFormer: Self-Supervised Transformer Model for Metal–Organic Framework Property Prediction

Zhonglin Cao, Rishikesh Magar, Yuyang Wang et al. · Journal of the American Chemical Society · 2023 · 139 citations · Full text

Materials Science, Structured Prediction, Geometric Learning +15

Efficient water desalination with graphene nanopores obtained using artificial intelligence

Yuyang Wang, Zhonglin Cao, Amir Barati Farimani · npj 2D Materials and Applications · 2021 · 79 citations · Full text

Artificial Intelligence, Nanosheet, Engineering +21

Crystal twins: self-supervised learning for crystalline material property prediction

Rishikesh Magar, Yuyang Wang, Amir Barati Farimani · npj Computational Materials · 2022 · 59 citations · Full text