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Geometric Deep Learning for Molecular Crystal Structure Prediction
We develop and test new machine learning strategies for accelerating molecular crystal structure ranking and crystal property prediction using tools from geometric deep learning on molecular graphs.
Diversifying Design of Nucleic Acid Aptamers Using Unsupervised Machine Learning
Inverse design of short single-stranded RNA and DNA sequences (aptamers) is the task of finding sequences that satisfy a set of desired criteria.
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