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Background: Software is an important windows to offer a variety of complexinstrument control and data processing for nuclear magnetic resonance (NMR)spectrometer. NMR software should allow researchers to flexibly implementvarious functionality according to the requirement of applications. Scriptingsystem can offer an open environment for NMR users to write custom programswith basic libraries. Emerging technologies, especially multivariatestatistical analysis and artificial intelligence, have been successfullyapplied to NMR applications such as metabolomics and biomacromolecules.Scripting system should support more complex NMR libraries, which will enablethe emerging technologies to be easily implemented in the scriptingenvironment. Result: Here, a novel NMR scripting system named "NMRPy" isintroduced. In the scripting system, both Java based NMR methods and originalCPython based libraries are supported. A module was built as a bridge tointegrate the runtime environment of Java and CPython. It works as an extensionin CPython environment, as well as interacts with Java part by Java NativeInterface. Leveraging the bridge, Java based instrument control and dataprocessing methods can be called as a CPython style. Compared with traditionalscripting system, NMRPy is easier for NMR researchers to develop complexfunctionality with fast numerical computation, multivariate statisticalanalysis, deep learning etc. Non-uniform sampling and protein structureprediction methods based on deep learning can be conveniently integrated intoNMRPy. Conclusion: NMRPy offers a user-friendly environment to implement customfunctionality leveraging its powerful basic NMR and rich CPython libraries. NMRapplications with emerging technologies can be easily integrated. The scriptingsystem is free of charge and can be downloaded by visitinghttp://www.spinstudioj.net/nmrpy.

NMRPy: a novel NMR scripting system to implement artificial intelligence and advanced applications