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Quantum Chemistry

OpenEye provides you with diverse tools to understand molecules at the electronic level of detail. Experiments complemented with highly-accurate quantum calculations can provide valuable mechanistic insights. OpenEye’s Orion cloud-native platform enables you to easily use quantum methods with various molecular modeling and simulations techniques to solve your most challenging scientific problems, fast.

Quantum torsion graph.

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Psi4 Quantum Chemistry

Optimized for usability and cloud-performance, OpenEye's implementation of Psi4 is for tailored for novice and experienced users. Included with Orion® Small Molecule Discovery Suite

Gaussian 16

The widely accepted industry standard quantum calculation is now easier to use, more automatable, and faster in the Orion Gaussian Module

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