Chemistry & ADMET · isayevlab
AIMNet2 retrained at the B97-3c level of theory — 2025 release with improved coverage and accuracy.
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Runs on On-demand GPU
Runs on our servers with on-demand compute. A first run needs time to load the model; active capacity can be reused and scales down when idle.Run this model
About this model
AIMNet2 retrained at the B97-3c level of theory — 2025 release with improved coverage and accuracy. Served through the generic Modal runner, which pulls isayevlab/aimnet2-2025 from the Hugging Face Hub and runs it as a other pipeline. Inputs and outputs were derived from the repository's declared pipeline tag rather than written by hand — check the model card before relying on a result.
Standardized I/O contract
Every model in the Hub speaks the same contract, which is what lets the Router and the agent call any of them without special-casing.
Inputs
Molecule (SMILES)
Outputs
Energy, maximum force and per-atom partial charges.
