Zhonglin Cao

According to our database, Zhonglin Cao authored at least 10 papers between 2019 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Large-Scale Pretraining Improves Sample Efficiency of Active Learning-Based Virtual Screening.

Zhonglin Cao, Simone Sciabola, Ye Wang

J. Chem. Inf. Model., 2024

EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants.

Allan dos Santos Costa, Ilan Mitnikov, Franco Pellegrini, Ameya Daigavane, Mario Geiger, Zhonglin Cao, Karsten Kreis, Tess E. Smidt, Emine Küçükbenli, Joseph Jacobson

CoRR, 2024

2023

Large-scale Pretraining Improves Sample Efficiency of Active Learning based Molecule Virtual Screening.

Zhonglin Cao, Simone Sciabola, Ye Wang

CoRR, 2023

Neural Network Predicts Ion Concentration Profiles under Nanoconfinement.

Zhonglin Cao, Yuyang Wang, Cooper Lorsung, Amir Barati Farimani

CoRR, 2023

2022

Molecular contrastive learning of representations via graph neural networks.

Yuyang Wang, Jianren Wang, Zhonglin Cao, Amir Barati Farimani

Nat. Mach. Intell., 2022

MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction.

Zhonglin Cao, Rishikesh Magar, Yuyang Wang, Amir Barati Farimani

CoRR, 2022

2021

Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy.

Junwoong Yoon, Zhonglin Cao, Rajesh K. Raju, Yuyang Wang, Robert Burnley, Andrew J. Gellman, Amir Barati Farimani, Zachary W. Ulissi

Mach. Learn. Sci. Technol., 2021

MolCLR: Molecular Contrastive Learning of Representations via Graph Neural Networks.

Yuyang Wang, Jianren Wang, Zhonglin Cao, Amir Barati Farimani

CoRR, 2021

Deep Reinforcement Learning Optimizes Graphene Nanopores for Efficient Desalination.

Yuyang Wang, Zhonglin Cao, Amir Barati Farimani

CoRR, 2021

2019

Near-Field Communication Sensors.

Zhonglin Cao, Ping Chen, Zhong Ma, Sheng Li, Xingxun Gao, Rui-xin Wu, Lijia Pan, Yi Shi

Sensors, 2019