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Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks.
Yashaswi Pathak
Sarvesh Mehta
U. Deva Priyakumar
Published in:
J. Chem. Inf. Model. (2021)
Keyphrases
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neural network
learning algorithm
free energy
learning process
learning rules
active learning
supervised learning
similarity measure
approximate inference