Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It is an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, biochemistry, or related areas.
|Tags||chemistry organic-chemistry inorganic-chemistry cheminformatics|
|Platform||Windows Linux MacOS|
The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
The Chemistry Add-in for Word makes it easier for students, chemists, and researchers to insert and modify chemical information, such as labels, formulas and 2-D depictions, from within Microsoft Office Word.chemistry sugars word wouter
Project is closed, since useful alternatives exist. See http://toeholds.wordpress.com/2010/03/23/writing-chemistry-with-latex-33/ for an example. With write18 and openbabel, you probably can do whatever you want.
Thermo is open-source software for engineers, scientists, technicians and anyone trying to understand the universe in more detail. It facilitates the retrieval of constants of chemicals, the calculation of temperature and pressure dependent chemical properties (both thermodynamic and transport), and the calculation of the same for chemical mixtures (including phase equilibria) using various models. Thermo runs on all operating systems which support Python, is quick to install, and is free of charge. Thermo is designed to be easy to use while still providing powerful functionality. If you need to know something about a chemical or mixture, give Thermo a try.chemistry cheminformatics physics molecule thermodynamics chemical-engineering mechanical-engineering viscosity density heat-capacity thermal-conductivity surface-tension combustion environmental-engineering solubility vapor-pressure equation-of-state process-simulation
We also have a slack channel for real-time discussion. If you want to join the channel, contact email@example.com. Deep learning on graphs has been an arising trend in the past few years. There are a lot of graphs in life science such as molecular graphs and biological networks, making it an import area for applying deep learning on graphs. DGL-LifeSci is a DGL-based package for various applications in life science with graph neural networks.bioinformatics deep-learning cheminformatics molecule drug-discovery geometric-deep-learning graph-neural-networks dgl
PyQuante (Python Quantum Chemistry) is an open-source package for quantum chemistry programming written in Python, Numerical Python, and C.
The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.
The most powerful, flexible, user-friendly wavefunction analysis program in quantum chemistry fieldchemistry quantum wavefunction
The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on http://jchempaint.github.com
GenChemLab is an OpenGL-based application intended to simulate several common general chemistry laboratory exercises.
Apache Chemistry provides open source implementations of the Content Management Interoperability Services (CMIS) specification. Libraries are available for Java, Python, PHP and .NET. CMIS (Content Management Interoperability Services) is an OASIS standard enabling information sharing between different Content Management Systems.cmis cms-interoperability
OSCAR (Open Source Chemistry Analysis Routines) is software for the semantic annotation of chemistry papers. The modules OPSIN (a name to structure converter) and ChemTok (a tokeniser for chemical text) are also available as standalone libraries.
This project aims at creating an open source chemistry plugin / cartridge for the relational database system Oracle. Free Oracle chemistry cartridge.
OpenFermion is an open source library for compiling and analyzing quantum algorithms to simulate fermionic systems, including quantum chemistry. Among other functionalities, this version features data structures and tools for obtaining and manipulating representations of fermionic and qubit Hamiltonians. For more information, see our release paper. Installing OpenFermion requires pip. Make sure that you are using an up-to-date version of it. For information about getting started beyond what is provided below please see our tutorial in the examples folder as well as our detailed code documentation.quantum-computing quantum-chemistry quantum-algorithms quantum-programming-language electronic-structure
An editor for small organic molecules, written in C using gtk+. It can read and write SMILES and cml and can save to dia's file format. It is suitable for creating chemical molecule diagrams for lower level chemistry/ochem lab reports.
Artificial chemistry low-level simulation : make up our own rules of construction to simulate open-ended, creative evolution. See http://organicbuilder.sourceforge.net/ for more information.
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.
Quantum Chemistry packets calculation analiser. Gaussian, Molpro, Molcas, etc. Sample of creating MDI programs with Visual Studio.
PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor.
An initiative to streamline non-competitive elements of the pharmaceutical drug discovery workflow (chemistry, biological screening, logistics) by the specification of common business terms, relationships and processes.
We have large collection of open source products. Follow the tags from
Tag Cloud >>
Open source products are scattered around the web. Please provide information
about the open source projects you own / you use.