-
Notifications
You must be signed in to change notification settings - Fork 0
OpenBabel MMFF94 forcefield routines for non-bonded interactions using OpenCL.
License
ovalerio/ocl_openbabel
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
Open Babel README version 2.3.0 ------------------------------- 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. * Ready-to-use programs, and complete programmer's toolkit * Read, write and convert over 90 chemical file formats * Filter and search molecular files using SMARTS and other methods * Generate 2D and 3D coordinates for SMILES, InChI and other formats * Supports molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry... Open Babel is distributed under the GNU General Public License (GPL). This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License. Full details can be found in the file "COPYING" which should be included in your distribution. For more information, check the Open Babel website: <http://openbabel.org/>
About
OpenBabel MMFF94 forcefield routines for non-bonded interactions using OpenCL.
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published