Discovery of novel chemical reactions by deep generative recurrent neural network

Generalized Gradient Approximation Made Simple

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Numerical Analysis, Engineering, Machine Learning +19

Long Short-Term Memory

Sepp Hochreiter, Jürgen Schmidhuber · Neural Computation · 1997 · 93.8K citations

Sequence to Sequence Learning with Neural Networks

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Structured Prediction, Engineering, Machine Learning +17

Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

Ansgar Schäfer, Christian Huber, Reinhart Ahlrichs · The Journal of Chemical Physics · 1994 · 9K citations

Engineering, Physics, Theoretical Inorganic Chemistry +13

Planning chemical syntheses with deep neural networks and symbolic AI

Marwin Segler, Mark P. Waller · Nature · 2018 · 1.8K citations · Full text

Artificial Intelligence, Symbolic Learning, Symbolic Ai +3