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binbase

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  Analyzed 1 day ago

The BinBase Database system was created to provide an accurate and fast solution for the analysis of thousand of Chromatograms and to create a library of compounds. Better known as Bins. The system is so designed that it can be easily extended and adapted for your specific problems. You also ... [More] have the possibilities to use it in different runtime configurations like: * using it as standalone system * using it with a cluster * using it with setupX as meta information provider * using with a custom meta information provider BinBase core part is now available in the svn. Websites are down to server error and we are working on it! [Less]

206K lines of code

0 current contributors

about 11 years since last commit

1 users on Open Hub

Inactive
0.0
 
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JaCuda

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  Analyzed about 18 hours ago

JaCuda is a small project which provides several mathematical function useful for a chemist or somebody working with mass specs. These functions will be executed using a cuda compatible gpu or if none is available it will fall back to the c++ implementation. If this is also not possible we will ... [More] invoke the function defined in the programming language. Which would be java/groovy for now and later python. --this project is abounded for the benefit of pycuda-- [Less]

1.8K lines of code

0 current contributors

almost 16 years since last commit

1 users on Open Hub

Inactive
0.0
 
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Open Chemistry

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  Analyzed 2 days ago

The Open Chemistry project is a collection of open source, cross platform libraries and applications for the exploration, analysis and generation of chemical data. The project builds upon various efforts by collaborators and innovators in open chemistry such as the Blue Obelisk, Quixote and the ... [More] associated projects. We aim to improve the state of the art, and facilitate the open exchange of ideas and exchange of chemical data leveraging the best technologies ranging from quantum chemistry codes, molecular dynamics, informatics and visualization. [Less]

200K lines of code

10 current contributors

13 days since last commit

1 users on Open Hub

Very High Activity
0.0
 
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Avogadro 2

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  Analyzed 1 day ago

Avogadro is an open-source molecular editor. We are currently developing the next generation of the Avogadro application and libraries. The library component has now been split into several smaller, focused libraries with finer-grained dependencies so that rendering code can be used without required ... [More] Qt, or general 2D widgets can be reused without requiring OpenGL. [Less]

123K lines of code

6 current contributors

13 days since last commit

1 users on Open Hub

Very High Activity
0.0
 
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Helium Cheminformatics

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  Analyzed about 20 hours ago

A lightweight generic cheminformatics toolkit

54.8K lines of code

0 current contributors

over 8 years since last commit

0 users on Open Hub

Inactive
0.0
 
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QMRF

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  Analyzed 3 days ago

(Q)SAR Model Reporting Format (QMRF) is a template format developed at the Computational Toxicology and Modelling lab of the JRC's Institute for Health and Consumer Protection. It is intended for summarising and reporting key information on (Q)SAR models, including the results of any validation ... [More] studies. The information is structured according to the OECD (Q)SAR validation principles. The JRC's QSAR Model Database is freely accessible with the help of the following applications: * QMRF Editor: a Java application, which provides user friendly interface for editing QMRF files. * QMRF Inventory: a web application, allowing users to submit, publish, and search QMRF files. [Less]

44.2K lines of code

1 current contributors

over 5 years since last commit

0 users on Open Hub

Inactive
0.0
 
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Licenses: No declared licenses

Miew - 3D Molecular Viewer

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Claimed by EPAM Systems Analyzed 1 day ago

Miew is a high performance web tool for advanced visualization and manipulation of molecular structures. Miew provides a full-featured set of tools for 3D visualization and editing of small molecules as well as large molecular complexes, including means to view, analyze, and modify the 3D ... [More] structure of a molecule. It works as a standalone HTML5 web application or integrates as a component into your web pages. The latest versions of WebGL-enabled desktop (Chrome, Firefox, Safari, Opera, Edge, IE11) and mobile (iOS, Android) browsers are supported. [Less]

65.9K lines of code

10 current contributors

8 months since last commit

0 users on Open Hub

Very Low Activity
0.0
 
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Toxtree (Toxic Hazard Estimation )

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  Analyzed 1 day ago

Description Estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation prediction -Eye irritation prediction -Benigni / Bossa rulebase for ... [More] mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Structure Alerts for identification of Michael Acceptors -Structure Alerts for skin sensitisation -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated Drug Metabolism and metabolites prediction -Structure Alerts for the in vivo micronucleus assay in rodents (ISSMIC) -Structural Alerts for Functional Group Identification (ISSFUNC) Pplugin framework to incorporate different approaches. [Less]

282K lines of code

0 current contributors

almost 6 years since last commit

0 users on Open Hub

Inactive
0.0
 
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chemkit

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  Analyzed about 19 hours ago

chemkit is an open source software library for chemistry applications, particularly in the areas of cheminformatics, molecular visualization and molecular modeling.

36.5K lines of code

2 current contributors

over 4 years since last commit

0 users on Open Hub

Inactive
0.0
 
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