Showing 6 open source projects for "chemistry"

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  • 1
    FairChem

    FairChem

    FAIR Chemistry's library of machine learning methods for chemistry

    FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. ...
    Downloads: 7 This Week
    Last Update:
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  • 2
    Battery Life Saver

    Battery Life Saver

    Battery Life Saver can extend the life span of laptop batteries.

    ...It automatically detects, charging and battery status. For more advanced options, contact the author. Designed by, M Kanagasabapathy Asst. Professor, Department of Chemistry Rajus’ College, Madurai Kamaraj University Rajapalayam (Tamil Nadu) India 626117 Project Home Page: https://www.enote.page/2022/01/Battery-Life-Saver.html Home page: https://www.enote.page
    Downloads: 1 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
    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
    Last Update:
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  • 5
    A univariate and multivariate analysis UI. This project is no longer under development. Please use as you wish.
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    Downloads: 3 This Week
    Last Update:
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  • 6
    SuperG is a code library written in Python intended to quickly enable programmers in a scientific environment to manage data files created by dispersed scientific instrumentation.
    Downloads: 0 This Week
    Last Update:
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