Open Source Python Chemistry Software
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Python Chemistry Software
View 108 business solutionsBrowse free open source Python Chemistry Software and projects below. Use the toggles on the left to filter open source Python Chemistry Software by OS, license, language, programming language, and project status.
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Auth0 for AI Agents now in GAConnect your AI agents to apps and data more securely, give users control over the actions AI agents can perform and the data they can access, and enable human confirmation for critical agent actions.
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Simplify Purchasing For Your BusinessSimplify every aspect of buying for your business in Order.co. From sourcing products to scaling purchasing across locations to automating your AP and approvals workstreams, Order.co is the platform of choice for growing businesses.
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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.
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GNNePCSAFT
Smart Thermodynamic Modeling with Graph Neural Networks
Our project harnesses the power of Graph Neural Network (GNN) to estimate pure-component parameters of the state-of-the-art Equation of State, PC-SAFT. We aim to empower users to leverage this robust equation without the need for prior experimental data, revolutionizing the calculation of thermodynamic properties and enhancing process simulations. FeOS is used for the PC-SAFT calculations. The estimated parameters can be used in DWSIM and Aspen HYSYS process simulators. -
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WebChemViewer
A simple program for sharing molecular structures with associated data
Sharing lists of molecular structures with associated chemical properties is a common task in computer-aided drug design and medicinal chemistry. WebChem Viewer is a simple, free, open-source program that generates HTML-formatted output that can be viewed in any modern web browser, on any operating system (including mobile), without requiring the installation of additional software. The output can also be easily incorporated into existing web pages. WebChem Viewer is released under the FreeBSD license. It was created by Jacob Durrant, a post-doc in the lab of Rommie E. Amaro. -
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f90lafg
Diffraction related calculations in Fortran 2003
full snapshots of CRYSFML code and parts of SXTALSOFT code -
AI-First Supply Chain ManagementLogility is a market-leading provider of AI-first supply chain management solutions engineered to help organizations build sustainable digital supply chains that improve people’s lives and the world we live in. The company’s approach is designed to reimagine supply chain planning by shifting away from traditional “what happened” processes to an AI-driven strategy that combines the power of humans and machines to predict and be ready for what’s coming. Logility’s fully integrated, end-to-end platform helps clients know faster, turn uncertainty into opportunity, and transform the supply chain from a cost center to an engine for growth.
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Goldify is a set of tools that allow automated addition of links into electronic documents. Its main purpose is to allow such addition of links into documents that wish to link to the IUPAC GoldBook (http://goldbook.iupac.org).
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