Quantum Chemistry Web Platform

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Run ridiculously fast semi-empirical xTB calculations on real computing resources, no configuration required

Focus on concepts, not minutae

The user-friendly interface handles input file creation and management so you can concentrate on the bigger picture

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What users say

Nassim Maarouf
PhD student in Medicinal Chemistry
University of Montreal
Throughout my research journey, I have come to rely on the exceptional capabilities of CalcUS Cloud for computational modeling of molecules.

CalcUS Cloud, with its powerful semi-empirical xTB calculations, has become an invaluable tool in my work. The platform's user-friendly interface and comprehensive features have greatly enhanced my ability to simulate 3D conformers and analyze bond angles, critical aspects in the field of medicinal chemistry. This has allowed me to simulate 3D structures before investing time in their laboratory synthesis, providing a solid starting point for my experimental work.

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