AIMNet2

AIMNet2 is a generally applicable, accurate, and incredibly fast neural network potential that powers organic-focused computational chemistry simulations in Rowan.

OMol25 eSEN

OMol25's eSEN Conserving Small from Meta FAIR is a model trained on Open Molecules 2025, a high-quality dataset of unprecedented scale spanning small molecules, biomolecules, metal complexes, and electrolytes, including 83 elements, charged systems, and open-shell species.

Orb-v3

Orb-v3 from Orbital Materials can scale to simulations of 100,000 atoms while performing an energy and force evaluation in under 1 second.

Traditional physics-based methods

Run density-functional theory (DFT) and xTB methods with a unified interface, deployment environment, and database for calculation submission, management, and analysis.

We offer single-tenant and customer-managed virtual-private-cloud (VPC) deployments for enterprise accounts. Read more about our security and deployment options.

Run calculations and workflows programmatically with a Python- or RDKit-native API that returns structured data, perfect for high-throughput screening or complex workflows. Read more about our API.

Our no-code web-based platform makes it easy to submit, view, and analyze complex calculations. All workflows automatically generate publication-quality visuals, and Rowan makes it easy to securely share and collaborate within organizations.