Search Results for "chemical"
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Showing 35 open source projects for "chemical"
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MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
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A warehouse and inventory management software that scales with your business.Logiwa is a leader in cloud-native fulfillment technology, revolutionizing high-volume fulfillment for third-party logistics (3PLs), B2B and B2C fulfillment networks, and direct-to-consumer brands. Our flagship product, Logiwa IO, is an advanced Fulfillment Management System (FMS) designed to scale operations in the digital era. Logiwa elevates digital warehousing to new heights, ensuring dynamic and efficient fulfillment processes. Our commitment to AI-driven technology, combined with a focus on customer-centricity, equips businesses to adeptly navigate and excel in rapidly changing market landscapes. Discover the future of smart fulfillment and how you can fulfill brilliantly with Logiwa IO.
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Catalyst.jl
Chemical reaction network and systems biology interface
Catalyst.jl is a symbolic modeling package for analysis and high-performance simulation of chemical reaction networks. Catalyst defines symbolic ReactionSystems, which can be created programmatically or easily specified using Catalyst's domain-specific language (DSL). Leveraging ModelingToolkit and Symbolics.jl, Catalyst enables large-scale simulations through auto-vectorization and parallelism. Symbolic ReactionSystems can be used to generate ModelingToolkit-based models, allowing the easy simulation and parameter estimation of mass action ODE models, Chemical Langevin SDE models, stochastic chemical kinetics jump process models, and more. ... -
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TOPCEE
Python GUI tool for estimating plant CAPEX, OPEX, and profitability
TOPCEE (Toyese Oyegoke Process Cost & Economic Evaluator) is a GUI-based Python application designed to assist chemical engineers, researchers, and students in evaluating the profitability of chemical/process plants. The app calculates capital and operational expenditures (CAPEX & OPEX) and provides key profitability metrics such as: **ROI (Return on Investment) **IRR (Internal Rate of Return) **NPV (Net Present Value) **Payback Period (Discounted and Non-Discounted) **Benefit-Cost Ratios Users input plant-specific values like feedstock costs, operating time, product price, and equipment cost — and the tool generates real-time visualizations and results. ... -
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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. 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. ...">
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luscus
molecular editor and viewer
...The program is developed as a graphical interface for MOLCAS program package, however it's adaptive nature makes possible using luscus with other computational program packages and chemical formats. If you use this program, please cite: G. Kovačević, V. Veryazov, J. Cheminformatics, 7 (2015) 1-10; DOI: 10.1186/s13321-015-0060-z">
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Project Management SoftwareProject Insight offers powerful tools for project managers and teams in order to deliver optimal performance and ensure success. An enterprise project and portfolio management software, Project Insight offers personalized dashboards, intelligent scheduling, resource management, collaboration, time and expense tracking, project and portfolio tracking, workflow, and reporting features to help teams work better and get real results. Project Insight is suitable for small teams, mid-market companies, and large enterprises.
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able-care-compliance-docs
Open documentation covering care home safety and compliance topics
This project provides open, educational documentation focused on healthcare and care home compliance topics. Content covers general concepts relating to COSHH, LOLER, PUWER, and safe equipment and chemical management in care environments. All materials are intended for learning and reference purposes and are not a substitute for professional assessment or inspection. -
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Aestel
Applications for data management
"Information is data in action", and, consequently, having good quality data is essential. The AESTEL package contains two highly configurable applications for data management: A data loader and a reporting application, i.e. DataLoader and AEREA, respectively. The data loader application applies user-defined instructions to validate, process and load data. The reporting application provides a query builder and spreadsheet template designer. Both applications work with any relational data... -
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Chemical Equation Balancer
Balances Chemical Equation
Balances any complex chemical equation easily. Version: v 1.0 and v 2.0 both are available. -
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LMAPper - The SPM and Mol Viewer
Where SPM images and molecular models meet
This application lets STM or AFM images AND molecular models to be overlaid. It is useful to understand how your molecules fit to what you observed and can help interpret your data. What makes this application more useful than paint programs (powerpoint or inkscape) is the fact that the size of the images and of the molecule is fixed, so that you know that you are working in real space. Check https://sourceforge.net/p/spm-and-mol-viewer/wiki/Home/ for updates. -
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Toxmatch
Exploring chemical similarity
Toxmatch is a flexible and user-friendly open-source software application that encodes several chemical similarity indices to facilitate the grouping of chemicals into categories and read-across. The core functionalities include the ability to compare datasets based on various structural and descriptor-based similarity indices as well as the means to calculate pair wise similarity between compounds or aggregated similarity of a compound to a set. -
Online Project Management Platform - ZohoZoho Projects is a cloud-based project management solution that helps teams plan, track, collaborate, and achieve project goals.
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MoCalc2012
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
MoCalc2012 is a simple, efficient Graphical User Interface for MOPAC, DFTB+, GAMESS(US), Firefly, NWChem, ORCA and PSI4. -
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...hf5192 -) 3D elemental sensitive imaging using transmission X-ray microscopy, Analytical and Bioanalytical Chemistry, Volume 404, Issue 5, pp 1297-1301 (2012) http://link.springer.com/article/10.1007%2Fs00216-012-5818-9 -) Three-dimensional imaging of chemical phase transformations at the nanoscale with full-field transmission X-ray microscopy, Journal of Synchrotron Radiation, 18, 773-781. (2011) http://scripts.iucr.org/cgi-bin/paper?ie5055
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This Excel Add-In enables working with chemical formulas, like contracting them and calculating their molar masses. Dieses Excel Add-In erlaubt das Arbeiten mit chemischen Formeln, wie das Zusammenfassen zu Summenformeln und Berechnen von molaren Massen.
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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MS-ML Studio
Free and Open-Source Tool for Mass Feature Extraction
Mass spectrometer is a useful tool for biochemistry research field analysis. It is used to identify microorganisms, protein, chemical compounds and complex diseases by blood analysis. There is many tools and libraries to handle different steps of mass spectrometry (MS) data analysis. However, the integration of all these tools lacks user friendly approaches. We developed a machine learning solution capable to handle all steps of MS data analysis. The ML-MS Tool is an free software that integrate different mass spectrometry analysis techniques with machine learning approach. ... -
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Crygr
Compare and visualize charge densities from various file formats.
...Thanks to the cooperation with the author of Jana2006 Vaclav Petricek, the program supports also multipoles obtained by measurements on a diffractometer. With all those file formats available to it, it can compare and visualize the differences between various sources describing the same chemical structure. -
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CS Miner
A tool for Navigating in Chemical Space
CS-Miner stands for Chemical Space Miner and is a software tool for navigating in chemical space of compound databases. It helps for deriving appropriate classification models and performing virtual screening. Download it via: http://csminer.com/csm/?p=7 A quick tutorial is available through: http://csminer.com/csm/?p=8 -
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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. -
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MoleCalc
A molecular weight calculator written in Visual Basic.
A molecular weight calculator written in Visual Basic. Unfortunately, it is only for 64-bit Windows at this time. The code files (.sln) are downloadable only. I can't figure out Git. -
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Chemical Mass Calculator
Calculates chemical compounds molar masses
Small and fast software that calculates the molar mass of a chemical formula. Can redirect user to the wiki page of the compund or to the NCBI chemical database. Multilanguage. -
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ScreeningAssistant 2 is a modular software dedicated to perform various simple and advanced chemoinformatics analysis around chemical libraries.
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A GUI to calculate chemical compound characteristics along with their Neutron and X-Ray Scattering Length Densities. Comes as standalone package for Windows, Linux and MacOS (in the future).
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Free Organic Chemistry Analysis and Visualisation Tool; Chemical formula editor, calculation of threedimensional molecular structures, high-quality realtime rendering, ...
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MOPlot - visualization program for fast Molecular Orbitals Plotting (and other stuff - please, read the full description) from the outputs of the Gaussian 09-94, Molcas, Gamess/US, Firefly quantum chemical calculation packages.
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Science Lab Inventory & Order Management
Science Laboratory Inventory and Order Management System
Science Laboratory Inventory and Orders Management System: suitable for school's science laboratories to manage stored items (chemical and equipment) and adds a way to order these items on-line for science lessons and practical experiments. It's PHP/MySQL web application which needs to be installed in one server and runs in any client's browser with no modification at all. It's a multi-user system with different privileges. Demo is available at: http://sciencelabinv.sourceforge.net/demo/