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Open Babel
Analyzed 5 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.
Licenses:
GPL-2.0+
SpeedCrunch
Analyzed 1 day 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
Mostly written in language not available
Licenses:
GPL-2.0+
Apache Chemistry
Claimed by Apache Software Foundation Analyzed about 1 year ago
Apache Chemistry is an effort to provide Java, Python, PHP, .NET and Objective-C implementations of the CMIS specification.
Licenses:
Apache-2.0
Avogadro
Analyzed 3 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.
Licenses:
GPL-2.0+
Jmol
J
Analyzed 3 months 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.
The Chemistry Development Kit
T
Analyzed 15 days 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.
Bioclipse
Analyzed 4 days 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
Licenses:
EPL-1.0
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.
cclib
Analyzed 1 day 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
Licenses:
GPL-2.0+
JChemPaint Applet and Swing Application
J
Analyzed about 1 year ago
JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.