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10/02/2020
Beyond Chemical 1D knowledge using Transformers
In the present paper we evaluated efficiency of the recent Transformer-C...
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03/05/2020
Augmented Transformer Achieves 97 and Classical Retro-Synthesis
We investigated the effect of different augmentation scenarios on predic...
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10/29/2019
Multitask Learning On Graph Neural Networks Applied To Molecular Property Predictions
Prediction of molecular properties, including physico-chemical propertie...
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09/24/2019
Deep Generative Model for Sparse Graphs using Text-Based Learning with Augmentation in Generative Examination Networks
Graphs and networks are a key research tool for a variety of science fie...
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09/10/2019
GEN: Highly Efficient SMILES Explorer Using Autodidactic Generative Examination Networks
Recurrent neural networks have been widely used to generate millions of ...
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12/11/2018