- Computational Chemistry Degree
- Computational Chemistry Book
- Free Computational Chemistry Software For Mac
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- A set of computationalchemistry modules and programs to perform ab initio calculations of various properties of small molecules.The system will use GRID technology for large computations.The system will use C++ and Qt, running on Win32 and Linux. ..
- ab initio ComputationalChemistry
- Dr. Erich W. Schreiner
- Freeware (Free)
- Windows
- A C++ chemistry libarary. Implemented tripos force field. Can do low mode conformational search, generalized born model, conjugate minimization, and more .
- CCL_0.1alpha.tar.gz
- powermv
- Freeware (Free)
- 20.23 Mb
- Windows
- Gabedit is a graphical user interface to computationalchemistry packages like Gamess-US Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess and Q-ChemIt can display a variety of calculation results including support for most major molecular file formats. The advanced 'Molecule Builder' allows to rapidly sketch in molecules and examine them in 3D.
- setupGabedit235.exe
- llouche abdul-Rahman
- Freeware (Free)
- 4.68 Mb
- Win All
- CILib is a framework for developing Computational Intelligence software in swarm intelligence, evolutionary computing, neural networks, artificial immune systems, fuzzy logic and. ..
- cilib-0.7.2-javadoc.jar
- cilib
- Freeware (Free)
- 5.42 Mb
- Windows; Mac; Linux
- Quantum Chemistry Import Tool is a django application that parses the output file of quantum chemistrysoftware Plantronics hub software for mac. as NWChem, Octopus, Gaussian, etc. The result can be saved in relational. ..
- qchitool_0.3.1.7z
- qchitool
- Freeware (Free)
- 15.47 Mb
- Windows; Mac; Linux
- The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computationalchemistry written in The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.
- cdk-1.4.9.jar
- SF
- Freeware (Free)
- 16.01 Mb
- Windows; Mac; Linux
- TARIS (Tree Analysis and Representation of Isopotential Surfaces) is a software package designed for molecular similarity purposes in the field of ComputationalChemistry. Users are allowed to compare molecules through their MEP loading .cube. ..
- taris-0.2.tar.gz
- taris
- Freeware (Free)
- 815 Kb
- BSD; Linux
- Avogadro is an advanced molecular editor designed for cross-platform use in computationalchemistry, molecular modeling, bioinformatics, materials science and related areas.
- Avogadro-1.0.3-win32.exe
- dcurtis3
- Freeware (Free)
- 9.51 Mb
- Win All
- Viewmol is an open source graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results. Viewmol has originally been developed by J?“A¶rg-R?“N?diger Hill and Andreas Bleiber in the Quantum Chemistry Group of Humboldt University with contributions by Arne Dummer, Mariann Krossner, Andreas B?“N?nger, and Andries de Man. Low level format mac software.
- viewmol-2.4.1.src.tgz
- J??N�…rg-R??N�…diger Hill
- Freeware (Free)
- 2.13 Mb
- Linux
- cclib is an open source library, written in Python, for parsing and interpreting the results of computationalchemistry packages. It currently parses output files from ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC. ..
- cclib-1.0.1.tar.gz
- sourceforge
- Freeware (Free)
- 5.16 Mb
- Windows; Mac; Linux
- ccwatcher monitors the progress of computationalchemistry Macfamilytree by only mac software reviews. calculations during runtime. It has both a GUI and a 'Command Line Interface' to which it parses important output and plots SCF energies. Avogadro plugin capability is. ..
- ccwatcher-1.1.1-src.tar.bz2
- ccwatcher
- Freeware (Free)
- 145 Kb
- Windows; Mac; Linux
- PerlMol is a collection of Perl modules for chemoinformatics and computationalchemistry with the philosophy that 'simple things should be simple'. It should be possible to write one-liners that use this toolkit to do meaningful 'molecular. ..
- Chemistry-File-SMILES-0.47.tar.gz
- perlmol
- Freeware (Free)
- 12 Kb
- Windows; Mac; Linux
Leading developer and provider of Molecular Modeling, Molecular Simulations, Machine Learning and BioInformatics software to Pharmaceutical and Biotechnology companies as well as Academic institutions throughout the world. 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. NWChem software can handle.
Computational Chemistry Degree
- Software Reviews - A Growing Collection of Reviews of Scientific Software. Tutorials, Hints and Tips - How to get the best out of scientific software, scripts, Jupyter notebooks and Meetings Reports. Data Analysis Tools - A comprehensive list containing all the Data Analysis Tools available for Mac OS X.
- IMol is a free molecular visualization application for Mac OS X operating system. Molinspiration tools are therefore platform independent and may be run on any PC, Mac, UNIX or LINUX machine. The software is distributed in a form of toolkits, which may be used as stand-alone computational engines, used to power web-based tools, or easily.
- Feb 23, 2018 Popular Alternatives to Marvin for Windows, Mac, Linux, iPhone, iPad and more. Explore 13 apps like Marvin, all suggested and ranked by the AlternativeTo user community. XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and Mac OS. Ghemical is computational chemistry package, which is.
Computational Chemistry Book
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