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Theoretical and Computational Chemistry

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Generative

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3 results in Keywords: Generative

Theoretical and Computational Chemistry

Deep Generative Model for Sparse Graphs using Text-Based Learning with Augmentation in Generative Examination Networks

Ruud van Deursen, Guillaume Godin

Version 2 posted 11 October 2019

872

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Theoretical and Computational Chemistry

COATI: multi-modal contrastive pre-training for representing and traversing chemical space

Benjamin Kaufman, Edward Williams, Carl Underkoffler, Ryan Pederson, Narbe Mardirossian, Ian Watson, John Parkhill

Version 1 posted 25 August 2023

3,232

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1

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Theoretical and Computational Chemistry

AGDIFF: Attention-Enhanced Diffusion for Molecular Geometry Prediction

André Brasil Vieira Wyzykowski, Fatemeh Fathi Niazi, Alex Dickson

Version 1 posted 08 October 2024

216

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