/tools/AIRS

AIRS

divelab/AIRS

727 stars88 forksJupyter NotebookWebsiteAdded February 5, 2026
summary

AIRS is an open-source collection of software tools and datasets focused on artificial intelligence applications in quantum, atomistic, and continuum systems. It includes resources for predicting molecular properties, designing molecules, and conducting simulations, making it highly relevant to the fields of computational chemistry and molecular biology.

description

Artificial Intelligence Research for Science (AIRS)

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