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A Systematic Survey of Molecular Pre-trained Models

By Jun Xia and others
Deep learning has achieved remarkable success in learning representations for molecules, which is crucial for various biochemical applications, ranging from property prediction to drug design. However, training Deep Neural Networks (DNNs) from scratch often requires abundant labeled molecules, which are expensive to acquire in the real world. To alleviate this... Show more
February 3, 2023
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A Systematic Survey of Molecular Pre-trained Models
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