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J Harry Moore

Showing results (1-10 of 5) with videos related to

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Journal of the American Chemical Society|January 27, 2026
Computing Solvation Free Energies of Small Molecules with Experimental AccuracyJ Harry Moore, Daniel J Cole, Gábor Csányi
Bioinformatics (Oxford, England)|September 8, 2022
Icolos: a workflow manager for structure-based post-processing of de novo generated small moleculesJ Harry Moore, Matthias R Bauer, Jeff Guo, et al.
Communications Chemistry|April 27, 2023
Automated relative binding free energy calculations from SMILES to ΔΔGJ Harry Moore, Christian Margreitter, Jon Paul Janet, et al.
Journal of the American Chemical Society|May 19, 2025
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic MoleculesDávid Péter Kovács, J Harry Moore, Nicholas J Browning, et al.
The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
Journal of the American Chemical Society|January 27, 2026
Computing Solvation Free Energies of Small Molecules with Experimental AccuracyJ Harry Moore, Daniel J Cole, Gábor Csányi
Bioinformatics (Oxford, England)|September 8, 2022
Icolos: a workflow manager for structure-based post-processing of de novo generated small moleculesJ Harry Moore, Matthias R Bauer, Jeff Guo, et al.
Communications Chemistry|April 27, 2023
Automated relative binding free energy calculations from SMILES to ΔΔGJ Harry Moore, Christian Margreitter, Jon Paul Janet, et al.
Journal of the American Chemical Society|May 19, 2025
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic MoleculesDávid Péter Kovács, J Harry Moore, Nicholas J Browning, et al.
The Journal of Chemical Physics|November 13, 2025
A foundation model for atomistic materials chemistryIlyes Batatia, Philipp Benner, Yuan Chiang, et al.
Pageof 1