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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.Scientific Data|January 4, 2023
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning PotentialsPeter Eastman, Pavan Kumar Behara, David L Dotson, et al.Scientific Reports|February 11, 2025
Validation of two swabbing methods to sample DNA for genotyping Atlantic bluefin tuna (Thunnus thynnus)D Righton, F Garzon, L A Hawkes, et al.Journal of Chemical Information and Modeling|November 9, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at ScaleJoshua T Horton, Simon Boothroyd, Jeffrey Wagner, et al.Marine Pollution Bulletin|February 3, 2007
Identification, definition and quantification of goods and services provided by marine biodiversity: implications for the ecosystem approachN J Beaumont, M C Austen, J P Atkins, et al.Pediatric Hematology and Oncology|May 29, 2012
Pediatric Hodgkin lymphoma: are we over-scanning our patients?N Rathore, H M Eissa, J F Margolin, et al.Journal of Chemical Information and Modeling|November 26, 2022
Collaborative Assessment of Molecular Geometries and Energies from the Open Force FieldLorenzo D'Amore, David F Hahn, David L Dotson, et al.Journal of Chemical Theory and Computation|April 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge ModelLily Wang, Irfan Alibay, Pavan Kumar Behara, et al.Journal of Chemical Theory and Computation|May 11, 2023
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force FieldSimon Boothroyd, Pavan Kumar Behara, Owen C Madin, et al.Nature Genetics|August 4, 1999
A YAC-based physical map of the mouse genomeC Nusbaum, D K Slonim, K L Harris, et al.Pageof 6