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Zhonglin Cao
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2020 – today
- 2024
- [j4]Zhonglin Cao
, Simone Sciabola
Large-Scale Pretraining Improves Sample Efficiency of Active Learning-Based Virtual Screening. J. Chem. Inf. Model. 64(6): 1882-1891 (2024) - [i6]Allan dos Santos Costa, Ilan Mitnikov, Franco Pellegrini, Ameya Daigavane, Mario Geiger, Zhonglin Cao, Karsten Kreis, Tess E. Smidt, Emine Küçükbenli, Joseph Jacobson:
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants. CoRR abs/2410.09667 (2024) - 2023
- [i5]Zhonglin Cao
Neural Network Predicts Ion Concentration Profiles under Nanoconfinement. CoRR abs/2304.04896 (2023) - [i4]Zhonglin Cao, Simone Sciabola, Ye Wang:
Large-scale Pretraining Improves Sample Efficiency of Active Learning based Molecule Virtual Screening. CoRR abs/2309.11687 (2023) - 2022
- [j3]Yuyang Wang
Molecular contrastive learning of representations via graph neural networks. Nat. Mach. Intell. 4(3): 279-287 (2022) - [i3]Zhonglin Cao, Rishikesh Magar, Yuyang Wang, Amir Barati Farimani:
MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction. CoRR abs/2210.14188 (2022) - 2021
- [j2]Junwoong Yoon, Zhonglin Cao
Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy. Mach. Learn. Sci. Technol. 2(4): 45018 (2021) - [i2]Yuyang Wang, Zhonglin Cao, Amir Barati Farimani:
Deep Reinforcement Learning Optimizes Graphene Nanopores for Efficient Desalination. CoRR abs/2101.07399 (2021) - [i1]Yuyang Wang, Jianren Wang, Zhonglin Cao, Amir Barati Farimani:
MolCLR: Molecular Contrastive Learning of Representations via Graph Neural Networks. CoRR abs/2102.10056 (2021)
2010 – 2019
- 2019
- [j1]Zhonglin Cao, Ping Chen
Near-Field Communication Sensors. Sensors 19(18): 3947 (2019)
Coauthor Index
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