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Nathan C. Frey

Strain Problems got you in a Twist? Try StrainRelief: A Quantum-Accurate Tool for Ligand Strain Calculations

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Mar 17, 2025
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Concept Bottleneck Language Models For protein design

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Nov 09, 2024
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LLMs are Highly-Constrained Biophysical Sequence Optimizers

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Oct 29, 2024
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Protein Discovery with Discrete Walk-Jump Sampling

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Jun 08, 2023
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Protein Design with Guided Discrete Diffusion

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May 31, 2023
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SupSiam: Non-contrastive Auxiliary Loss for Learning from Molecular Conformers

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Feb 15, 2023
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A Green(er) World for A.I

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Jan 27, 2023
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Graph Contrastive Learning for Materials

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Nov 24, 2022
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A Pareto-optimal compositional energy-based model for sampling and optimization of protein sequences

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Oct 19, 2022
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SELFIES and the future of molecular string representations

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Mar 31, 2022
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