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Ignacio Pickering

Showing results (1-10 of 7) with videos related to

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The Journal of Physical Chemistry. B|November 10, 2025
TorchANI-Amber: Bridging Neural Network Potentials and Classical Biomolecular SimulationsIgnacio Pickering, Jonathan A Semelak, Jinze Xue, et al.
Journal of Chemical Information and Modeling|October 17, 2025
TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPsIgnacio Pickering, Jinze Xue, Kate Huddleston, et al.
Biorxiv : the Preprint Server for Biology|November 24, 2025
BitBIRCH-Lean: chemical space in the palm of your workstationIgnacio Pickering, Krisztina Zsigmond, Kenneth López Pérez, et al.
The Journal of Physical Chemistry. B|April 17, 2018
Grand Canonical Investigation of the Quasi Liquid Layer of Ice: Is It Liquid?Ignacio Pickering, Martin Paleico, Yamila A Perez Sirkin, et al.
Journal of Chemical Theory and Computation|April 11, 2025
LEGOLAS: A Machine Learning Method for Rapid and Accurate Predictions of Protein NMR Chemical ShiftsMikayla Y Darrows, Dimuthu Kodituwakku, Jinze Xue, et al.
Journal of Chemical Information and Modeling|May 6, 2024
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) ApproachJuan S Grassano, Ignacio Pickering, Adrian E Roitberg, et al.
Journal of Chemical Theory and Computation|March 4, 2025
Advancing Multiscale Molecular Modeling with Machine Learning-Derived ElectrostaticsJonathan A Semelak, Ignacio Pickering, Kate Huddleston, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. B|November 10, 2025
TorchANI-Amber: Bridging Neural Network Potentials and Classical Biomolecular SimulationsIgnacio Pickering, Jonathan A Semelak, Jinze Xue, et al.
Journal of Chemical Information and Modeling|October 17, 2025
TorchANI 2.0: An Extensible, High-Performance Library for the Design, Training, and Use of NN-IPsIgnacio Pickering, Jinze Xue, Kate Huddleston, et al.
Biorxiv : the Preprint Server for Biology|November 24, 2025
BitBIRCH-Lean: chemical space in the palm of your workstationIgnacio Pickering, Krisztina Zsigmond, Kenneth López Pérez, et al.
The Journal of Physical Chemistry. B|April 17, 2018
Grand Canonical Investigation of the Quasi Liquid Layer of Ice: Is It Liquid?Ignacio Pickering, Martin Paleico, Yamila A Perez Sirkin, et al.
Journal of Chemical Theory and Computation|April 11, 2025
LEGOLAS: A Machine Learning Method for Rapid and Accurate Predictions of Protein NMR Chemical ShiftsMikayla Y Darrows, Dimuthu Kodituwakku, Jinze Xue, et al.
Journal of Chemical Information and Modeling|May 6, 2024
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) ApproachJuan S Grassano, Ignacio Pickering, Adrian E Roitberg, et al.
Journal of Chemical Theory and Computation|March 4, 2025
Advancing Multiscale Molecular Modeling with Machine Learning-Derived ElectrostaticsJonathan A Semelak, Ignacio Pickering, Kate Huddleston, et al.
Pageof 1