Search Results for "component"
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Showing 10 open source projects for "component"
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Atera all-in-one platform IT management software with AI agentsAtera’s AI agents don’t just assist, they act. From detection to resolution, they handle incidents and requests instantly, taking your IT management from automated to autonomous.
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Accounting practice management softwareCanopy is a cloud-based practice management software for accounting and tax firms, offering tools for client engagement, document management, workflow automation, and time & billing. Its Client Engagement platform centralizes interactions with a secure portal, customizable branding, and email integration, while the Document Management system enables organized, paperless file storage. The Workflow module enhances visibility into tasks and projects through templates, task assignments, and automation, reducing human error. Additionally, the Time & Billing feature tracks billable hours, generates invoices, and processes payments, ensuring accurate financial management. With its comprehensive features, Canopy streamlines operations, reduces stress, and enhances client experiences.
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...Those datasets are peer reviewed by a board of reviewers. The project is supported by a scientific advisory board. nmrshiftdb2 is part of the NFDI4Chem initiative (https://nfdi4chem.de/) and will provide a component for a curated repository there. Please consult the documentation for more detailed information.
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GNNPCSAFT
Smart Thermodynamic Modeling with Graph Neural Networks
The GNNPCSAFT app is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. To install the GNNPCSAFT app, download the appropriate latest release from the Files, unzip the file, and run the executable for your operating system (Linux or Windows). ... -
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Jmol
An interactive viewer for three-dimensional chemical structures.
...Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. ... -
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GNNPCSAFT Chat
Chatbot with GNNPCSAFT
The GNNPCSAFT Chat is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, you can chat with LLM models (Gemini or Ollama) with GNNPCSAFT tools, allowing you to ask questions about the PC-SAFT parameters of various compounds, predict thermodynamic properties, and get insights into the GNNPCSAFT's performance. -
Power through agendas and documents, make more informed decisions and conduct board meetings faster.iBabs not only captures the entire decision-making process – it takes all the paperwork out of meetings. iBabs empowers everyone who has ever organized or attended, a meeting. With a seemingly simple app that offers complete control and a comprehensive overview of all those fiddly details. With about 3000 organizations and over 300,000 users, iBabs gives you peace of mind. So you can quickly organize effective meetings, and good decisions can be made with confidence. iBabs didn’t just happen overnight. We started analyzing and simplifying board meeting processes many years ago. We understand all the work that goes into meetings, and how to streamline everything so it all flows smoothly. On any device, confidentially, securely and automatically. Make good decisions with confidence.
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GNNPCSAFT Web App
Smart Thermodynamic Modeling with Graph Neural Networks
The GNNPCSAFT Web App is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. More info on github repository. -
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Raman Tool Set
Analysis of Raman spectra and spectroscopy data.
...RamanToolSet offers the following functions for processing: - scaling spectra - offset spectra - cut spectra - averaging spectra - smoothing spectra - normalizing spectra - background subtraction - polynomial subtraction The following analytical tools have been implemented: - Principal Component Analysis (PCA) - Clustering analysis - Extended Multiplicative Signal Correction (EMSC) analysis The following mapping tools have been implemented: - Producing single spectra files from Renishaw, Witec and Horiba mapping files (.txt) - Mapping the single spectra so imported from Renishaw, Witec or Horiba files - PCA is performed over mapping spectra and PCA-Scores are mapped - ICA is performed over mapping spectra and ICA-coefficients are mapped - Clustering analysis is performed over mapping spectra and Clusters are mapped -
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LP Molecular Viewer
ActiveX/ATL molecular viewer component
This is a ActiveX/ATL component that shows molecular structures in 3D. It can read atomistic .pdb and .xyz file formats. This control is made very simple and flexible. It may be useful for chemists or other scientists to put molecular structures in presentations such as power point, with the ability to rotate or zoom using the mouse. It can also be used in developing graphical user interface for molecular calculations, and in any programming IDE that allows insertion of ActiveX controls. ... -
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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.
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AI-powered SAST and AppSec platform that helps companies find and fix vulnerabilities.ZeroPath (YC S24) is an AI-native application security platform that delivers comprehensive code protection beyond traditional SAST. Founded by security engineers from Tesla and Google, ZeroPath combines large language models with advanced program analysis to find and automatically fix vulnerabilities.
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PocketAnalyzerPCA combines a geometric algorithm for detecting pockets in proteins with Principal Component Analysis and clustering. This enables visualization and analysis of pocket conformational distributions of large sets of protein structures.
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