Search Results for "chemistry lab management"
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Showing 280 open source projects for "chemistry lab management"
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ContainerSSH
ContainerSSH: Launch containers on demand
An SSH Server that Launches Containers in Kubernetes and Docker. Building a lab environment can be time-consuming. ContainerSSH solves this by providing dynamic SSH access with APIs, automatic cleanup on logout using ephemeral containers, and persistent volumes for storing data. Perfect for vendor and student labs. Provide production access to your developers, give them their usual tools while logging all changes. Authorize their access and create short-lived credentials for the database using... -
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Rawgraphs app
A web interface to create custom vector-based visualizations
... of making the visual representation of complex data easy for everyone. Primarily conceived as a tool for designers and vis geeks, RAWGraphs aims at providing a missing link between spreadsheet applications (e.g. Microsoft Excel, Apple Numbers, OpenRefine) and vector graphics editors (e.g. Adobe Illustrator, Inkscape, Figma). The project, led and maintained by the DensityDesign Research Lab (Politecnico di Milano) was released publicly in 2013. -
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HomotopyContinuation.jl
A Julia package for solving systems of polynomials
HomotopyContinuation.jl is a Julia package for solving systems of polynomial equations by numerical homotopy continuation. Many models in the sciences and engineering are expressed as sets of real solutions to systems of polynomial equations. We can optimize any objective whose gradient is an algebraic function using homotopy methods by computing all critical points of the objective function. An important special case is when the objective function is the euclidean distance to a given point.... -
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AutomatedLab
Framework that lets you deploy complex labs on HyperV and Azure
AutomatedLab is a provisioning solution and framework that lets you deploy complex labs on HyperV and Azure with simple PowerShell scripts. It supports all Windows operating systems from 2008 R2 to 2019, some Linux distributions and various products like AD, Exchange, PKI, IIS, etc. AutomatedLab (AL) enables you to setup test and lab environments on Hyper-v or Azure with multiple products or just a single VM in a very short time. There are only two requirements you need to make sure: You need... -
Small Business HR Management SoftwareWorkforceHub is the instantly useful, delightfully simple to use, small business solution for tracking time, scheduling and hiring. It scales as your business grows while delivering the mission-critical features an organization needs. It is tailored to, built for, and priced for small business employers.
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Wooey
A Django app that creates automatic web UIs for Python scripts
... been merged to combine our efforts. Enable the easy wrapping of any program in simple python instead of having to use language specific to existing tools such as Galaxy. Enable fellow lab members with no command line experience to utilize python scripts. Autodocument workflows for data analysis (simple model saving). -
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Jmol
An interactive viewer for three-dimensional chemical structures.
... quantum chemistry programs. Files can be transferred directly from several databases, including RCSB, EDS, NCI, PubChem, and MaterialsProject. Multiple files can be loaded and compared. A rich scripting language and a well-developed web API allow easy customization of the user interface. Features include interactive animation and linear morphing. Jmol interfaces well with JSpecView for spectroscopy, JSME for 2D->3D conversion, POV-Ray for images, and CAD programs for 3D printing (VRML export). -
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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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OpenClinic GA
Open Source Integrated Hospital Information Management System
OpenClinic GA is an open source integrated hospital information management system covering management of administrative, financial, clinical, lab, x-ray, pharmacy, meals distribution and other data. Extensive statistical and reporting capabilities. -
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NumeRe
Framework for numerical computations, data analysis and visualisation
Curve fitting | Data analysis | Plotting | Matrix operations | FFT | Extensible framework | Multiple file formats | Programmable | Open source | Free for everyone NumeRe: Framework for Numerical Computation is a numerical framework written for Microsoft Windows(R) and released under the GNU GPL v3 for solving and visualizing mathematical and physical problems numerically. Keep simple things simple: You want to plot a sine function? Just enter 'plot sin(x)'. You want to load some... -
Cyber Risk Assessment and Management PlatformWhen it comes to cybersecurity, what your clients don’t know can really hurt them. And believe it or not, keep them safe starts with asking questions. With ConnectWise Identify Assessment, get access to risk assessment backed by the NIST Cybersecurity Framework to uncover risks across your client’s entire business, not just their networks. With a clearly defined, easy-to-read risk report in hand, you can start having meaningful security conversations that can get you on the path of keeping your clients protected from every angle. Choose from two assessment levels to cover every client’s need, from the Essentials to cover the basics to our Comprehensive Assessment to dive deeper to uncover additional risks. Our intuitive heat map shows you your client’s overall risk level and priority to address risks based on probability and financial impact. Each report includes remediation recommendations to help you create a revenue-generating action plan.
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Quiz/Survey/Test - QST
A Free, complete, enterprise grade, open source exam management system
QST, the worlds unparalleled open source online/lan assessment software. From a quick quiz on your phone to very large scale, high stakes, proctored desktop testing, we make it easy/secure/economical. Our intuitive design contains features (Immediate detailed results, Create/Export/Import/Convert Questions, WYSIWYG/Math-Chemistry/Basic Editors, Question/Item Bank, Multiple Question Types, Multiple Delivery Styles, Multiple Delivery/Results Options, Adaptive/Branching Questions, Randomly Chosen... -
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Atomes
Analysis, visualization, edition of 3D atomistic models
Atomes is a Free (Open Source) cross-platform software licensed under the terms of the Affero GPL v3+ license. Atoms is a toolbox developed to analyze, to visualize and to create/edit three-dimensional atomistic models. Atomes also provides an advanced input preparation system for further calculations using well known molecular dynamics codes: - Classical MD : DL-POLY and LAMMPS - ab-initio MD : CPMD and CP2K - QM-MM MD : CPMD and CP2K Atomes is developed by Dr. Sébastien Le... -
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Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
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relax
Molecular dynamics by NMR data analysis
The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using... -
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Scaffold Hunter is a JAVA-based software tool for the analysis of structure-related biochemical data. It enables generation of and navigation in a scaffold tree hierarchy annotated with various data.
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ION-DTN
Delay-Tolerant Networking suitable for spacecraft and ground
2/17/2024 * Official distribution site for ION and ION-core has moved to GitHub: https://github.com/nasa-jpl/ION-DTN https://github.com/nasa-jpl/ion-core * ION documentation: https://nasa-jpl.github.io/ION-DTN/ * This site will continue to host ION 4.1.2 and all earlier releases. ============================= ION development is managed by the Jet Propulsion Lab; regression testing and code management are provided by Ohio University. The Interplanetary Overlay Network (ION... -
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AMBIT:Chemical Structure DB&Web Service
Chemical structures database & machine learning with web services API
AMBIT offers a cheminformatics data management for chemical substances, structures and nanomaterials. Flexible structure, similarity and study queries storage, descriptor calculation and predictive models building via REST web services.User interface for creating read across assessment and generating reports, aligned with regulatory and industrial requirements. Command line applications also available. Integration with third party tools and databases. -
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MCE - Marching Cube ELD
Crystallographic software for displaying voxel maps - electron density
MCE is an crystallographic experimental program for 3D and 2D electron density map visualization. The software is mainly focused on visualization of ELD calculated from X-ray diffraction data of small molecules, but it will work for small proteins as well. Download the installation file (default download) or find in "Files" the zip-file with instant copy of the program which does not require the installation. -
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Easy Database Forms For All
Create Web Based Forms Quickly, With In-built DB, For All Your Teams
Please watch the video/screenshots below for easy installation steps. This video is taken from my other project, with many similarities and some naming differences. After installation, login to the Administrator Page with : Username : root Password : change_this and look at the team1 database and the sample_table in it. You can now create your own required tables/forms. Also, login into the team1 user page ( from homepage ) with : Username : team1 Password :... -
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tools4vasp
Management and Analyzis of VASP calculations
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KherveFitting
Open source software to fit Xray photoelectron spectroscopy (XPS) data
KherveFitting is a fully Open Source XPS Fitting software that is simple , snappy, easy to use and available across all platforms (Windows, Mac OS, Linux). The software is written in Python using well known libraries: Numpy, lmfit, matplotlib, panda. KherveFitting can open Excel files (.xlsx) or import/convert VAMAS files (.vms) into Excel format. Four background types available: Linear, Shirley, Smart, Adaptive Smart. Drag the red lines on the plot to set the background range. Fit... -
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Charmol
Program for molecular graphics
Charmol is a cross-platform GUI/command-line based program for making high-quality pictures of molecular structures, nowadays working on Linux, MacOS and Windows. As output, it produces POV-Ray rendered images or files in VRML format. Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) -... -
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PyNanoLab
data analysis and Visualization with matplotlib
PyNanoLab contains a variety of tools to complete the data analysis, statistics, curve fitting, and basic machine learning application. Visualization in pynanolab is based on matplotlib. The setup tools is desinged to control and set-up all the details of the figure with a GUI. -
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Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
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tools4Gaussian
Management and Analyzis of Gaussian Calculations
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QSE is an application intended to help in the initial stages of data reduction of EXAFS data taken with multi-element detectors using the 'Spec' data acquisition system.