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Showing 12 open source projects for "can"
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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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QXRD is software for the acquisition and analysis of X-ray data taken with 2 dimensional detectors. The software can drive a Perkin Elmer XRD series flat panel detector and can be remote-controlled via a socket interface, or directly from SPEC
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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. -
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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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JSmol
JavaScript-Based Molecular Viewer From Jmol
JSmol can read all the files that Jmol reads. You can do all the scripting that Jmol does. You can create all the buttons and links and such that you are used to creating for Jmol. All of the rendering capability of the Jmol applet is there. JSmol has both a console and a popup menu. JSmol is integrated fully with JSME and JSpecView. -
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Science & Engineering Inventory
Rediscover the Simplicity http://www.atgclabs.com/
...Lab Inventory can be used to track reagents, disposables, analytical instruments, computer hardware, general laboratory equipment. Lab Inventory is ideal for all types of industries, including biot -
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Lab Inventory
Rediscover the Simplicity www.atgclabs.com
...We want to hear your feedback! https://www.atgclabs.com/products/li The Lab Inventory System is an innovative, easy to learn solution for research laboratories. You can quickly and easily upload your existing Excel based inventory and get started in minutes, manage laboratory inventory, place orders and keep track of them in one place. Lab Inventory can provide you with the advanced functionality you require enabling you to regain control of your stuff. If you are experiencing problems using the Lab Inventory System then please report your problem to support@atgclabs.com If you want to get priority help, need to get up to speed quickly, require some training or need full production support, request customization to your unique work flows or new features, please contact sales@atgclabs.com Join us on www.linkedin.com/groups/Lab-Inventory -
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Lab Studies
Rediscover the Simplicity http://www.atgclabs.com/
...https://www.atgclabs.com/products/lp The Animal Studies stores and handles three classes of information: animal growth, phenotype screening and genotype analysis. Animal Studies requires minimal computing skills. Genetic and physiological data can be entered either manually or automatically when automated genotyping and analytical phenotypic assays are used. Animal Studies application is web-based and completely customizable, with Animal Studies it is very simple to create, change and distribute data flows using an iterative approach. Animal Studies puts all the information right at your fingertips. ... -
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Lab Processes
Rediscover the Simplicity http://www.atgclabs.com/
...https://www.atgclabs.com/products/lp Lab Processes is a comprehensive and straightforward application specially designed for biologists and chemists who need to conduct a wide variety of tests and experiments on animals. Lab Processes requires minimal computing skills. Genetic and physiological data can be entered either manually or automatically when automated genotyping and analytical phenotypic assays are used. The Lab Processes application is web-based and completely customizable, with Animal Studies it is very simple to create, change and distribute data flows using an iterative approach. Animal Studies puts all the information right at your fingertips. ... -
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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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CH5M3D
HTML5 program for drawing and editting molecular structures
This program uses a combination of HTML5 and javascript to interactively draw and edit 3-dimensional structures of small molecules. While several useful web pages are included that require no modification, library calls are documented and examples provided to show how more advanced web pages can be created. A paper describing this program is available at the Journal of Cheminformatics (http://www.jcheminf.com/content/5/1/46). -
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The Chemical Manager application can be of great help to Organic Chemistry Departments. University research groups will benefit from using this application, since it was optimized for their needs. Currently, Technion Chemistry department is benefiting from it.
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