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Chemical structures database & machine learning with web services API
...Flexible structure, similarity and study queries storage, descriptor calculation and predictive models building via REST web services.User interface for creating read across assessment and generating reports, aligned with regulatory and industrial requirements. Command line applications also available. Integration with thirdparty tools and databases.
The ChemClipse 3rd Party Libraries are plug-ins which encapsulate the functionality of other open-source projects to be usable through Eclipse/OSGi bundles within the ChemClipse Rich Client Platform (RCP).
Nature is an open source library for computing thermochemical and kinetic properties of complex gas mixtures. The library supports the CHEMKIN data format and a native script for defining complex gas mixtures. Nature is written in C# and does not depend on any thirdparty tool or library. Nature interoperates natively with any .NET language including the FTN95: Fortran 95 compiler.
The primary goal of the project is to deliver the open source that provides the foundation for potentially complex CFD solutions capable of carrying computing in the distributed environment and particularly the Cloud computing.