Search Results for "computational chemistry software"

Raman Data Search and Storage (RDSS) software was developed as an analytical tool for a fast and accurate identification of unknown minerals by comparison of their spectra with the indexed library of data. A search function was implemented to enable users to find a specific peak value. Using the asterisk character (*) as a placeholder for one or more unknown peak value(s), the software will return the best match(es). Besides the search utility by the Raman band positions, which was proven to...

The Analyses Database is a collection of software to archive and to track rawdata files from analytical instruments. The system is set up using freely accessible tools - MySQL, apache, PHP, Linux. Several utilities for MS Windows are provided.

The Chemicals Database is a simple yet effective approach to track a stock of products. It provides a "product catalogue" that is accessible from any workplace over Intranet (http) and the server can be operated "in the cloud". Although this documentation deals in particular with a stock of chemicals in a laboratory, it can easily be adapted to any other "items" such as samples, spare parts, tools and other inventory. The software does not rely on a proprietary "solution" but employs...

A platform-independent environment to glue developed libraries (such as different quantum-chemistry libraries) together for research, education and further development. Git repository: https://gitlab.com/groups/tglue

Mychem is a chemoinformatics extension for MySQL.

BinBase is a software for the automatic analysis of Massspec data from LECO GC-Tofs. All code and documentation has been moved to the google code site of this project: https://code.google.com/p/binbase/ And support is provided by the company coding and more, which can be reached under: contact@codingandmore.org

Regional Computational Chemistry Collaboratory (RC3) is a suit of applications that can perform datafile backup, metadata extraction, database management, metadata visualization and manipulation for cross-group collaboratory in computational chem.

ChemAzTech is a Web chemistry software (for Linux server) connected to a MySQL database (L.A.M.P. software) which is storing molecules. Manage your chemical database, with product's properties. Draw, edit molecules and record it !

Biomedical Information Management System (BIMS) is a modular multilayer object - oriented software architecture, which provides a flexible computational solution to capture and manage a heterogeneous biomedical data: textual and visual information.

Fast search using a standard SQL on Oracle or PostgreSQL database. The package includes the database creator, loader and web application. It supports SMILES and SMARTS substructure searches, similarity search, stereochemistry.

This projects concentrates software for setting up a chemical dictionary website.

Industrial Wastewater Discharge Compliance Sampling and Reporting Database Software - Microsoft Access

Crow - Computational Representation Of Whatever. A platform for the integration and mining of complex and distributed data. Represents cross-linked semantic web documents as a network of software objects and offers easy ways to filter, and sort them.

An adaptive mini database learns algorithmic operations for data intensive algebraic computational methods within a pervasive computing graph. It also provides generic structures and algorithms as a data fabric.

Beer Wizard is the possibly temporary title for a piece of software being developed for members of the Craft Beer community.