409 citations · 442 across the 6 of their papers we have counts for
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cs.LG2018★ 409 cited
Optimization of Molecules via Deep Reinforcement Learning
Zhenpeng Zhou, Steven Kearnes, Li Li +2
We present a framework, which we call Molecule Deep -Networks (MolDQN), for molecule optimization by combining domain knowledge of chemistry and state-of-the-art reinforcement l…
cs.LG2017★ 24 cited
Graph Convolution: A High-Order and Adaptive Approach
Zhenpeng Zhou, Xiaocheng Li
In this paper, we presented a novel convolutional neural network framework for graph modeling, with the introduction of two new modules specially designed for graph-structured data…