159 citations · 267 across the 14 of their papers we have counts for
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MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction
Zhonglin Cao, Rishikesh Magar, Yuyang Wang +1
Metal-Organic Frameworks (MOFs) are materials with a high degree of porosity that can be used for applications in energy storage, water desalination, gas storage, and gas separatio…
Crystal Twins: Self-supervised Learning for Crystalline Material Property Prediction
Rishikesh Magar, Yuyang Wang, Amir Barati Farimani
Machine learning (ML) models have been widely successful in the prediction of material properties. However, large labeled datasets required for training accurate ML models are elus…
Improving Molecular Contrastive Learning via Faulty Negative Mitigation and Decomposed Fragment Contrast
Yuyang Wang, Rishikesh Magar, Chen Liang +1
Deep learning has been a prevalence in computational chemistry and widely implemented in molecule property predictions. Recently, self-supervised learning (SSL), especially contras…