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Vijay Pande

Pre-training Graph Neural Networks

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May 29, 2019
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MoleculeNet: A Benchmark for Molecular Machine Learning

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Oct 26, 2018
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Weakly-Supervised Deep Learning of Heat Transport via Physics Informed Loss

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Aug 21, 2018
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Improved Training with Curriculum GANs

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Jul 24, 2018
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Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation

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Jun 07, 2018
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Retrosynthetic reaction prediction using neural sequence-to-sequence models

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Jun 06, 2017
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Modeling Industrial ADMET Data with Multitask Networks

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Jan 13, 2017
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Low Data Drug Discovery with One-shot Learning

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Nov 10, 2016
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ROCS-Derived Features for Virtual Screening

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Aug 22, 2016
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Molecular Graph Convolutions: Moving Beyond Fingerprints

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Aug 18, 2016
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