This is a maintenance project for the NMRShiftDB project (hosted on sf.net). Since development of NMRShiftDB has stopped, some interested people continue to maintain the software here and a public instance which can be reached at nmrshiftdb2.sf.net. Process inefficiencies are a drain on any business, no matter how big or small, so speeding up your […]

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QXRD is software for the acquisition and analysis of X-ray data taken with 2 dimensional detectors. The software can drive a Perkin Elmer XRD series flat panel detector and can be remote-controlled via a socket interface, or directly from SPEC Today’s small-to-medium-sized (SMB) businesses and large enterprises are saving on their monthly communications costs by […]

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Iterate is an implementation of the Bravais-lattice-finding algorithm from: Andrews and Bernstein, Acta Cryst. (1988). A44, 1009-1018 Lattices and Reduced Cells as Points in 6-Space and Selection of Bravais Lattice Type by Projections. You’re probably paying too much for cell phone service. Wirefly compares hundreds of plans to help you save. Enter what you need […]

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AMBIT offers a cheminformatics data management for chemical substances, structures and nanomaterials. 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 third party tools and […]

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WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics for distinguishable particles. It can be used to solve one or more (i.e. coupled channels) time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can simulate modern experiments using […]

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PYroMat is a flexible platform for calculating thermodynamic properties in Python. If you are a Python user who also works with thermodynamic calculations, it could be the tool for you. From students to researchers, conveniently retrieving imperfect gas data can make all our lives easier. PYro is designed for everything from quick property calculations to […]

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The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats. Cloudbased voice solutions are common in enterprise networks and frustrating for operations teams to manage. Simplify VoIP monitoring by having a […]

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WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics for distinguishable particles. It can be used to solve one or more (i.e. coupled channels) time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can simulate modern experiments using […]

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Scaffold Hunter is a JAVA-based software tool for the analysis of structure-related biochemical data. It enables generation of and navigation in a scaffold tree hierarchy annotated with various data. You’re probably paying too much for cell phone service. Wirefly compares hundreds of plans to help you save. Enter what you need (minutes, data, texts) into […]

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MESMER (Master Equation Solver for Multi Energy-well Reactions) models the interaction between collisional energy transfer and chemical reaction for dissociation, isomerisation, association, and non-adiabatic hopping processes. Cloudbased voice solutions are common in enterprise networks and frustrating for operations teams to manage. Simplify VoIP monitoring by having a proactive analysis of on-prem, hybrid and UCaaS voice […]

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