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Jose Arjona-Medina

Pretraining Graph Transformers with Atom-in-a-Molecule Quantum Properties for Improved ADMET Modeling

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Oct 10, 2024
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Analysis of Atom-level pretraining with QM data for Graph Neural Networks Molecular property models

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May 23, 2024
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MEET: A Monte Carlo Exploration-Exploitation Trade-off for Buffer Sampling

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Oct 24, 2022
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