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MolCLR: Molecular Contrastive Learning of Representations via Graph Neural Networks.
Yuyang Wang
Jianren Wang
Zhonglin Cao
Amir Barati Farimani
Published in:
CoRR (2021)
Keyphrases
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neural network
learning algorithm
learning process
genetic algorithm
unsupervised learning
learning systems
reinforcement learning
neural nets
active learning
background knowledge
incremental learning
supervised learning
learning problems
inductive inference
learning capabilities