AIMNet2
AI Models MIT (Free)
About
High-accuracy neural network potential for organic and elemental-organic molecules supporting neutral and charged species. Predicts energies, forces, and partial charges at wB97M-D3BJ/def2-TZVPP level for drug discovery and computational chemistry applications.
Citation
Anstine, D.M.; Isayev, O. AIMNet2: A Neural Network Potential to Meet your Neutral, Charged, Organic, and Elemental-Organic Needs. J. Phys. Chem. A (2023). DOI:10.1021/acs.jpca.2c06685
Frequently Asked Questions
What is AIMNet2?
AIMNet2 is a ai models application available in the Paramus App Store. High-accuracy neural network potential for organic and elemental-organic molecules supporting neutral and charged species. Predicts energies, forces, and partial charges at wB97M-D3BJ/def2-TZVPP level for drug discovery and computational chemistry applications.
Is AIMNet2 free to use?
Yes. AIMNet2 is distributed under the MIT (Free) license and is available at no cost through the Paramus App Store.
How do I install AIMNet2?
AIMNet2 is installed through Paramus Chemistry OS, an on-premise Windows platform for computational chemistry. Open the Paramus App Store in your local installation and select AIMNet2 for one-click deployment.
What type of application is AIMNet2?
AIMNet2 belongs to the “AI Models” category in the Paramus App Store. It runs on Paramus Chemistry OS and can also be accessed through Paramus Cloud for supported workflows.
What platform does AIMNet2 run on?
AIMNet2 runs on Paramus Chemistry OS, a Windows-based on-premise platform that provides local compute power for demanding simulations. It requires a Paramus OS installation with appropriate hardware resources.
Can AIMNet2 be automated or integrated with AI workflows?
Yes. AIMNet2 is available as part of the Paramus ecosystem which supports MCP (Model Context Protocol) tools for AI-driven automation. This enables integration with large language models and automated research pipelines.
How should I cite AIMNet2 in publications?
The recommended citation for AIMNet2 is: Anstine, D.M.; Isayev, O. AIMNet2: A Neural Network Potential to Meet your Neutral, Charged, Organic, and Elemental-Organic Needs. J. Phys. Chem. A (2023). DOI:10.1021/acs.jpca.2c06685