Download Shareware and Freeware Software for Windows, Linux, Macintosh, PDA

line Home  |  About Us  |  Link To Us  |  FAQ  |  Contact

Serving Software Downloads in 976 Categories, Downloaded 29.883.950 Times

Computational Chemistry Database software
Filter: All | Freeware | Demo
Display by: Relevance |  Downloads |  Name

Computational Chemistry Database

1 2 3 4 5 > 
Added: August 13, 2010 | Visits: 994

Avogadro Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. This project offers a flexible rendering engine and a powerful plugin architecture. The main concept behind Avogadro...



Platforms: *nix

License: Freeware Size: 256 KB Download (138): Avogadro Download

Added: June 01, 2010 | Visits: 542

cclib cclib is a Python library for parsing and interpreting the results of computational chemistry packages. Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational modes, and the results of a TD-DFT calculation. cclib...





Platforms: *nix

License: Freeware Size: 3.3 MB Download (72): cclib Download

Added: May 10, 2013 | Visits: 231

Gabedit Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC and Q-Chem computational chemistry packages.Gabedit includes graphical facilities for generating keywords and options, molecule specifications and their input sections for even the most advanced calculation...


Platforms: *nix, C/C++, BSD

License: Freeware Download (31): Gabedit Download

Added: November 04, 2013 | Visits: 303

The Chemistry Development Kit for Linux The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.


Platforms: *nix

License: Freeware Size: 15.31 MB Download (18): The Chemistry Development Kit for Linux Download

Added: November 27, 2010 | Visits: 992

Vigyaan Vigyaan is an electronic workbench for bioinformatics, computational biology and computational chemistry. It has been designed to meet the needs of both beginners and experts. VigyaanCD is a live Linux CD containing all the required software to boot the computer with ready to use modeling...


Platforms: *nix

License: Freeware Size: 638 MB Download (84): Vigyaan Download

Released: November 07, 2012  |  Added: November 07, 2012 | Visits: 259

The Chemistry Development Kit The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java.


Platforms: Windows, Mac, Linux

License: Freeware Size: 16.01 MB Download (30): The Chemistry Development Kit Download

Added: October 02, 2013 | Visits: 239

Viewmol for Linux 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...


Platforms: *nix

License: Freeware Size: 2.13 MB Download (18): Viewmol for Linux Download

Released: November 27, 2012  |  Added: November 27, 2012 | Visits: 175

ccwatcher ccwatcher monitors the progress of computational chemistry 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 planned.


Platforms: Windows, Mac, Linux

License: Freeware Size: 144.23 KB Download (27): ccwatcher Download

Released: December 03, 2012  |  Added: December 03, 2012 | Visits: 183

PerlMol PerlMol is a collection of Perl modules for chemoinformatics and computational chemistry 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 munging'.


Platforms: Windows, Mac, Linux

License: Freeware Size: 11.76 KB Download (27): PerlMol Download

Released: October 14, 2012  |  Added: October 14, 2012 | Visits: 251

The CCP1GUI 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.


Platforms: Windows, Mac, Linux

License: Freeware Size: 3.37 MB Download (29): The CCP1GUI Download

Released: December 15, 2012  |  Added: December 15, 2012 | Visits: 182

Viewmol Viewmol is a 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.


Platforms: Mac, BSD, Linux

License: Freeware Size: 551.24 KB Download (29): Viewmol Download

Released: September 06, 2012  |  Added: September 06, 2012 | Visits: 328

MacMolPlt MacMolPlt is a Chemistry visualization tool that can be used to build molecules with an integrated graphical model builder, create input files for the GAMESS computational chemistry program, and then visualize the results of computational chemistry runs. Features include a high-quality 3D...


Platforms: Mac

License: Freeware Size: 7 MB Download (30): MacMolPlt Download

Added: September 01, 2013 | Visits: 185

Avogadro for Linux Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture. Cross-Platform: Molecular...


Platforms: *nix

License: Freeware Size: 9.51 MB Download (16): Avogadro for Linux Download

Released: January 03, 2005  |  Added: August 12, 2006 | Visits: 2.448

Nanotechnology Patent Index Database NanoVantage is proud to produce its first CD-ROM product: Database of nanotechnology Patent Index, January 2000 through April 2005. Tested with materials scientists and technical librarians, this product is essentially one common database which combines the entire patent publication history for...


Platforms: Windows

License: Shareware Cost: $399.00 USD Size: 22.49 MB Download (92): Nanotechnology Patent Index Database Download

Released: April 10, 2005  |  Added: March 12, 2006 | Visits: 3.045

ChemDBsoft Academic ChemDBsoft is chemical database software for management of databases of any size. Includes: free structure drawer, simple data views, searches by structure and substructure, multiple database searches, SDF import/export, duplicate removal, database comparison, chemical web server. Calculation and...


Platforms: Windows

License: Shareware Cost: $50.00 USD Size: 3.51 MB Download (342): ChemDBsoft Academic Download

Added: May 10, 2013 | Visits: 385

GDIS GDIS is a scientific visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures. It is in development, but is nonetheless quite functional. It has the following features: * Support for many common file formats (CIF, PDB, XTL, XYZ, and many...


Platforms: *nix, C/C++, BSD

License: Freeware Download (29): GDIS Download

Stochastic Timing Machinery, Differential Equations, and Simulation AbstractStochastic timing machinery (STM) is a diagram-oriented parallel programming language. Examples in electrical engineering, chemistry, game theory, and physics lead to associated ordinary and stochastic differential and partial differential equations. We od¬TCdeer an abstract...


Platforms: Matlab

License: Shareware Cost: $0.00 USD Size: 337.92 KB Download (18): Stochastic Timing Machinery, Differential Equations, and Simulation Download

Added: August 22, 2010 | Visits: 720

Chemistry::SQL Chemistry::SQL is an access database functions module. SYNOPSIS use strict; use Chemistry::SQL; use Chemistry::Artificial::SQL; my $db_name = $ARGV[0]; my $file = $ARGV[1]; my $db1 = Chemistry::SQL::new(db_host=>"127.0.0.1",db_user=>"root",db_port=>"3306",db_pwd=>"",...


Platforms: *nix

License: Freeware Size: 14.34 KB Download (88): Chemistry::SQL Download

Added: February 08, 2010 | Visits: 837

Chemistry::Artificial::Graphics Chemistry::Artificial::Graphics is a graphic plot for artificial with database support. SYNOPSIS use strict; use Chemistry::SQL; use Chemistry::Artificial::Graphics; my $dbname = $ARGV[0]; my $chaname = $ARGV[1]; my $file = $ARGV[2]; my $mode = $ARGV[3]; if (scalar(@ARGV)!=4) {...


Platforms: *nix

License: Freeware Size: 14.34 KB Download (89): Chemistry::Artificial::Graphics Download

Added: October 18, 2013 | Visits: 1.310

OrChem This project aims at creating an open source chemistry plugin / cartridge for the relational database system Oracle. Free Oracle chemistry cartridge. Features InChi generation Extended fingeprint SMARTS searching option RGroup Queries Descriptor calculation


Platforms: *nix

License: Freeware Size: 8.12 MB Download (236): OrChem Download

1 2 3 4 5 >