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Antonio Mirarchi

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

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Arxiv|December 16, 2024
mdCATH: A Large-Scale MD Dataset for Data-Driven Computational BiophysicsAntonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Scientific Data|November 28, 2024
mdCATH: A Large-Scale MD Dataset for Data-Driven Computational BiophysicsAntonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Journal of Chemical Theory and Computation|November 8, 2024
AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein ThermodynamicsAntonio Mirarchi, Raúl P Peláez, Guillem Simeon, et al.
Journal of Chemical Theory and Computation|February 11, 2025
Broadening the Scope of Neural Network Potentials through Direct Inclusion of Additional Molecular AttributesGuillem Simeon, Antonio Mirarchi, Raul P Pelaez, et al.
Journal of Chemical Information and Modeling|September 20, 2022
Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins CaseBruno Giovanni Galuzzi, Antonio Mirarchi, Edoardo Luca Viganò, et al.
Journal of Chemical Theory and Computation|May 14, 2024
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular SimulationsRaul P Pelaez, Guillem Simeon, Raimondas Galvelis, et al.
Arxiv|March 11, 2024
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular SimulationsRaul P Pelaez, Guillem Simeon, Raimondas Galvelis, et al.
Pageof 1

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

Sort By:
Pageof 1
Arxiv|December 16, 2024
mdCATH: A Large-Scale MD Dataset for Data-Driven Computational BiophysicsAntonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Scientific Data|November 28, 2024
mdCATH: A Large-Scale MD Dataset for Data-Driven Computational BiophysicsAntonio Mirarchi, Toni Giorgino, Gianni De Fabritiis
Journal of Chemical Theory and Computation|November 8, 2024
AMARO: All Heavy-Atom Transferable Neural Network Potentials of Protein ThermodynamicsAntonio Mirarchi, Raúl P Peláez, Guillem Simeon, et al.
Journal of Chemical Theory and Computation|February 11, 2025
Broadening the Scope of Neural Network Potentials through Direct Inclusion of Additional Molecular AttributesGuillem Simeon, Antonio Mirarchi, Raul P Pelaez, et al.
Journal of Chemical Information and Modeling|September 20, 2022
Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins CaseBruno Giovanni Galuzzi, Antonio Mirarchi, Edoardo Luca Viganò, et al.
Journal of Chemical Theory and Computation|May 14, 2024
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular SimulationsRaul P Pelaez, Guillem Simeon, Raimondas Galvelis, et al.
Arxiv|March 11, 2024
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular SimulationsRaul P Pelaez, Guillem Simeon, Raimondas Galvelis, et al.
Pageof 1