Projects tagged ‘chemistry’

Open Babel

Analyzed 3 months ago

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

706K lines of code

24 current contributors

4 months since last commit

15 users on Open Hub

Activity Not Available

1 Review

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Mostly written in C++

Licenses: GPL-2.0+

SpeedCrunch

Analyzed 29 days ago

SpeedCrunch is a high-precision scientific calculator. It features a syntax-highlighted scrollable display and is designed to be fully used via keyboard. Some distinctive features are auto-completion of functions and variables, a formula book, and quick insertion of constants from various fields of ... [More]

0 lines of code

0 current contributors

almost 2 years since last commit

14 users on Open Hub

Activity Not Available

0 Reviews

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Mostly written in language not available

Licenses: GPL-2.0+

Tags algebra business c++ calculator chemistry education finance linux math mathematics maths osx 8 more...

Apache Chemistry

Claimed by Apache Software Foundation Analyzed 11 months ago

Apache Chemistry is an effort to provide Java, Python, PHP, .NET and Objective-C implementations of the CMIS specification.

256K lines of code

5 current contributors

11 months since last commit

14 users on Open Hub

Activity Not Available

0 Reviews

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Mostly written in Java

Licenses: Apache-2.0

Tags apache chemistry cmis cmislib dotcmis dotnet ecm java objective_c opencmis php portcmis 1 more...

Avogadro

Analyzed 30 days ago

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.

169K lines of code

6 current contributors

4 months since last commit

13 users on Open Hub

Low Activity

0 Reviews

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Mostly written in C++

Licenses: GPL-2.0+

Tags bio-informatics c++ cheminformatics chemistry editor kde molecular_science qt research visualization

Jmol

J

Analyzed 28 days ago

Jmol is a Java molecular viewer for three-dimensional chemical structures. Features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs.

516K lines of code

2 current contributors

8 months since last commit

12 users on Open Hub

Low Activity

0 Reviews

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Mostly written in Java

Licenses: LGPL

Tags bioinformatics bio-informatics cheminformatics chemistry computer_aided_instruction java molecular_science research visualization

The Chemistry Development Kit

T

Analyzed 4 months ago

The Chemistry Development Kit (CDK) is a library of Java classes for chemo-, bioinformatics, computational chemistry, and chemometrics. It provides important algorithms like substructure search, SMILES, Gasteiger charges, QSAR descriptor calculation, 3D structure generation, 2D layout and rendering, many IO formats, atom typing, and more.

569K lines of code

13 current contributors

4 months since last commit

6 users on Open Hub

Activity Not Available

0 Reviews

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Mostly written in Java

Licenses: LGPL

Tags 3d_rendering bioinformatics bio-informatics cheminformatics chemistry chemoinformatics development java medical_science

Bioclipse

Analyzed about 1 year ago

The Bioclipse project is aimed at creating a Java-based, open source, visual platform for chemo- and bioinformatics based on the Eclipse Rich Client Platform (RCP). Bioclipse, as any RCP application, is based on a plugin architecture that inherits basic functionality and visual interfaces from ... [More]

1.13M lines of code

12 current contributors

almost 6 years since last commit

5 users on Open Hub

Activity Not Available

0 Reviews

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Mostly written in Java

Licenses: EPL-1.0

Tags bioinformatics biology cheminformatics chemistry chemoinformatics eclipse framework java molecular visualization

NWChem

Analyzed about 1 year ago

NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

5.72M lines of code

13 current contributors

about 1 year since last commit

5 users on Open Hub

Activity Not Available

0 Reviews

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Mostly written in Fortran (Free-format)

Licenses: ECL-2.0

Tags chemistry computational cuda density_functional_theory dft fortran molecular moleculardynamics parallel quantum science

cclib

Analyzed about 1 month ago

cclib is an open source library, written in Python, for parsing and interpreting the results of computational chemistry packages. The goals of cclib are: * to facilitate the implementation of algorithms that are not specific to a particular computational chemistry package * to provide a ... [More]

31.3K lines of code

10 current contributors

8 months since last commit

5 users on Open Hub

Activity Not Available

0 Reviews

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Mostly written in Python

Licenses: GPL-2.0+

Tags cheminformatics chemistry computational_chemistry library molecular_science python quantumchemistry research

JChemPaint Applet and Swing Application

J

Analyzed 12 months ago

JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.

95.4K lines of code

0 current contributors

almost 6 years since last commit

5 users on Open Hub

Activity Not Available

1 Review

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Mostly written in Java

Licenses: LGPL

Tags bio-informatics chemistry human_machine_interfaces java molecular_science text_processing unix_talk visualization

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