35 projects for "unit-api" with 2 filters applied:

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  • 1
    AMBIT:Chemical Structure DB&Web Service

    AMBIT:Chemical Structure DB&Web Service

    Chemical structures database & machine learning with web services API

    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 databases.
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    Downloads: 5 This Week
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  • 2
    Jmol

    Jmol

    An interactive viewer for three-dimensional chemical structures.

    ...Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export).
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    Downloads: 545 This Week
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  • 3
    Scaffold Hunter
    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.
    Downloads: 5 This Week
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  • 4
    freesteam
    Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran, Python, LabVIEW, Octave and ASCEND.
    Downloads: 8 This Week
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  • 5
    PolyJen: Polymerization in a digital laboratory
    Downloads: 0 This Week
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  • 6
    Effectopedia
    Effectopedia is open knowledge aggregation and collaboration tool that provides a means of describing adverse outcome pathways in encyclopedic manner.
    Downloads: 0 This Week
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  • 7
    chemfiles

    chemfiles

    Modern library for chemistry file reading and writing

    Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with...
    Downloads: 0 This Week
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  • 8
    An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).
    Downloads: 1 This Week
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  • 9
    Maltcms
    The Maltcms - Modular Application Toolkit for Chromatography Mass-Spectrometry is a JAVA API for preprocessing, alignment, analysis and visualization of data stored in open file formats used in Proteomics and Metabolomics research.
    Downloads: 0 This Week
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    Freshservice is an intuitive, AI-powered platform that helps IT, operations, and business teams deliver exceptional service without the usual complexity. Automate repetitive tasks, resolve issues faster, and provide seamless support across the organization. From managing incidents and assets to driving smarter decisions, Freshservice makes it easy to stay efficient and scale with confidence.
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  • 10
    XR3FoodAnalyser

    XR3FoodAnalyser

    Analyze food ingredients!

    Comments: Confirm that the food you eat is health with this app.Including over 5000 ingredients!!! System Requirements: Java 1.8.0_45++ required.
    Downloads: 0 This Week
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  • 11
    Biological Network Analyzer
    Workbench for visualizing biological networks (regulatory, interaction, and metabolic). Can be used as a front-end for BNDB datawarehouses, but also as stand-alone tool.
    Downloads: 0 This Week
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  • 12
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    The Gecko Hamaker open-source software project is a full implementation of the fully retarded Lifshitz formulations for isotropic and anisotropic plane-plane and cylinder-cylinder interactions with intervening interlayer materials, planar systems of up to 99 layers, and graded interfaces for the modeling of grain boundaries or other continuously changing systems, accompanied by a database of material optical properties spectra. The machine-readable optical property database is available...
    Downloads: 1 This Week
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  • 13

    peptide array generator

    small and smart peptide array generator, considering time complexity.

    small and smart peptide array generator, considering time complexity. commercial software is quite costful (500+ euros). this projects aims on creating an open source, free alternative to those software.
    Downloads: 0 This Week
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  • 14
    Bika Open Source LIMS

    Bika Open Source LIMS

    Web based Open Source laboratory information management system (LIMS)

    Modern Open Source LIMS (Laboratory Information Management System) · Professionally supported by experts The Bika code was migrated to https://github.com/bikalims Getting Started: https://github.com/bikalims/bika.lims/blob/main/README.md Modern Bika releases are built on the Senaite LIMS core, the LIMS that originated as a Bika fork. It is therefore as new and modern as Senaite, frequently upgraded and has many very useful add-ons. Bika expands on Senaite's lean design by adding...
    Downloads: 0 This Week
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  • 15
    The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.
    Downloads: 6 This Week
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  • 16
    is-sfe

    is-sfe

    Information System "Supercritical Fluid Extraction"

    Information System "Supercritical Fluid Extraction" has developed as tool for collecting and analyzing the experimental data from various supercritical fluids experiments. The final target is to help to scientists who worked with supercritical fluids to predict some useful properties such as density, solubility etc. In order to calculate molecular descriptors, parse SMILES and another applied purposes is used Chemistry Development Kit (https://sourceforge.net/projects/cdk).
    Downloads: 0 This Week
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  • 17

    PLASMAKIN: a chemical kinetics package

    A library to compute the electron and chemical kinetics on plasmas

    PLASMAKIN is a package to handle physical and chemical data used in plasma physics modeling and to compute gas-phase and gas-surface kinetics data: particle production and loss rates, photon emission spectra and energy exchange rates.
    Downloads: 0 This Week
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  • 18
    Screening Assistant 2
    ScreeningAssistant 2 is a modular software dedicated to perform various simple and advanced chemoinformatics analysis around chemical libraries.
    Downloads: 0 This Week
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  • 19
    Chemitorium
    Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
    Downloads: 3 This Week
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  • 20
    primeHandle is a set of data management tools in support of the PrIMe Initiative (http://primekinetics.org). primeHandle includes graphical user interfaces for searching through data collections, editing and submitting data to the PrIMe Data Depository.
    Downloads: 0 This Week
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  • 21

    Analytical Information Markup Language

    Open XML format for analytical chemistry and biology data.

    This project supports ASTM E13.15 "Analytical Data Magement" in its work defining AnIML, an XML standard for representing, managing and interchanging analytical chemistry and biology data.
    Downloads: 0 This Week
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  • 22
    The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.
    Downloads: 0 This Week
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  • 23
    JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.
    Downloads: 1 This Week
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  • 24
    Grid-Enabled Molecular Simulation Repository (GEMS)
    Downloads: 0 This Week
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  • 25
    Using the CUDA API this project modifies the AutoDock software to run in parallel on NVIDIA GPUs. Users will be able to download and compile the code and use AutoDock on CUDA capable Graphics Cards. Autodock is located at http://autodock.scripps.edu/
    Downloads: 1 This Week
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