Showing 9 open source projects for "python framework"

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    AestheticsPro Medical Spa Software

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  • Diagnose and Resolve IT Issues in Real Time Icon
    Diagnose and Resolve IT Issues in Real Time

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  • 1
    ChemCrow

    ChemCrow

    Chemcrow

    ChemCrow is an AI-powered framework designed to assist in chemical research and discovery. It integrates AI models with chemical knowledge bases to provide intelligent recommendations for synthesis planning, reaction prediction, and material discovery. This tool helps automate and accelerate research in computational chemistry and drug development.
    Downloads: 12 This Week
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  • 2
    Avogadro

    Avogadro

    An intuitive molecular editor and visualization tool

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.
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    Downloads: 1,178 This Week
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  • 3
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
    Downloads: 0 This Week
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  • 4

    CIF2Cell

    Generating cells for electronic structure calculations from CIF files

    CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files. The program has been published...
    Downloads: 3 This Week
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  • EHS Software and Management System Icon
    EHS Software and Management System

    ERA offers the only full EHS&Q platform with advanced automation to drive your complete compliance.

    ERA Environmental Software Solutions develops web-based EHS management software for small, medium, and large manufacturers needing to comply with federal, provincial, and state regulations, monitor their air, water, and waste emissions and other environmental outputs, author and manage Safety Data Sheets (SDS) in more than 40 languages, or standardize their Health and Safety procedures for incident and inspection tracking, training delivery, and audit management. The platform also supports comprehensive reporting for programs like TRI, Tier II, Title V, NEI, and NPRI. Companies across the automotive, aerospace, general manufacturing, and paints and coatings industries, to name a few, rely on ERA’s all-in-one, SOC 2 Type II certified SaaS for complete coverage of their EHS needs.
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  • 5
    BETR-Research (BETRS) is a modelling framework to create spatially resolved multimedia models for the environmental fate- and transport of chemical contaminants. It is intended to serve the research community and can be used as a teaching tool.
    Downloads: 0 This Week
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  • 6
    Python module for manipulation of Crystallographic Information Framework (CIF) files
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    Downloads: 0 This Week
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  • 7
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    Downloads: 5 This Week
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  • 8
    FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.
    Downloads: 0 This Week
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  • 9
    Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.
    Downloads: 0 This Week
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  • Pylon is an All-in-one B2B Support Platform for modern B2B businesses. Icon
    Pylon is an All-in-one B2B Support Platform for modern B2B businesses.

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