Dataset: Molecular Simulations Assisted by an Artificial Intelligence Agent

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This Dataset is for the paper Molecular Simulations Assisted by an Artificial Intelligence Agent (ArIA). This set contains codes and full datasets used to reproduce the results...

Dataset: Molecular Simulations Assisted by an Artificial Intelligence Agent

This Dataset is for the paper Molecular Simulations Assisted by an Artificial Intelligence Agent (ArIA). This set contains codes and full datasets used to reproduce the results shown in the paper.<

DataCite Commons2026-05-04 更新00

Molecular Dynamics Simulations and Artificial Intelligence in Scientific Publishing

Data collected from Scopus as of 21st Dec 2023. The search was based on finding occurrences of "molecular dynamics" either alone ("MD") or in combination with "machine learning", "neural network", "ar

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Molecular Dynamics Simulations and Artificial Intelligence in Scientific Publishing

To cite: Biriukov, D.; Vácha, R. Pathways to a Shiny Future: Building the Foundation for Computational Physical Chemistry and Biophysics in 2050. ACS Phys. Chem Au 2024, 4 (4), 302–313. DOI: 10.1021/a

Zenodo2025-12-01 更新00

Molecular Dynamics Simulations and Artificial Intelligence in Scientific Publishing

Zenodo2025-12-01 更新00