.. GaudiMM: Genetic Algorithms with Unrestricted Descriptors for Intuitive Molecular Modeling
https://github.com/insilichem/gaudi
Copyright 2017 Jaime Rodriguez-Guerra, Jean-Didier Marechal
Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at
http://www.apache.org/licenses/LICENSE-2.0
Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.
.. image:: https://travis-ci.org/insilichem/gaudi.svg?branch=master :target: https://travis-ci.org/insilichem/gaudi
.. image:: https://readthedocs.org/projects/gaudi/badge/?version=latest :target: http://gaudi.readthedocs.io/en/latest/
.. image:: https://anaconda.org/insilichem/gaudi/badges/installer/conda.svg :target: https://conda.anaconda.org/insilichem/gaudi
.. image:: https://img.shields.io/badge/doi-10.1002%2Fjcc.24847-blue.svg :target: http://onlinelibrary.wiley.com/doi/10.1002/jcc.24847/full
GaudiMM, for Genetic Algorithms with Unrestricted Descriptors for Intuitive Molecular Modeling, helps to sketch new molecular designs that require complex interactions.
.. image:: docs/data/gaudimm-logo-whitebg.jpg :alt: GaudiMM logo
Full multi-objective optimization
Unprecedented customizability
Developer friendly
developer docs <http://gaudi.readthedocs.io/en/latest/developers.html>
_!Documentation source is available in docs/
subdirectory, and also compiled as HTML at this webpage <http://gaudi.readthedocs.io/>
_.
If you need help with GaudiMM, please use the issues page <https://github.com/insilichem/gaudi/issues>
of our GitHub repo <https://github.com/insilichem/gaudi>
. You can drop me a message at jaime.rodriguezguerra@uab.cat <mailto:jaime.rodriguezguerra@uab.cat>
_ too.
GaudiMM is licensed under the GNU Lesser General Public License version 3. Check the details in the LICENSE <https://raw.githubusercontent.com/insilichem/gaudi/master/LICENSE>
_ file.
GaudiMM is scientific software, funded by public research grants (Spanish MINECO's project CTQ2014-54071-P
, Generalitat de Catalunya's project 2014SGR989
and research grant 2015FI_B00768
, COST Action CM1306
). If you make use of GaudiMM in scientific publications, please cite our article in JCC <http://onlinelibrary.wiley.com/doi/10.1002/jcc.24847/full>
_. It will help measure the impact of our research and future funding!
.. code-block:: latex
@article {JCC:JCC24847,
author = {Rodríguez-Guerra Pedregal, Jaime and Sciortino, Giuseppe and Guasp, Jordi and Municoy, Martí and Maréchal, Jean-Didier},
title = {GaudiMM: A modular multi-objective platform for molecular modeling},
journal = {Journal of Computational Chemistry},
volume = {38},
number = {24},
issn = {1096-987X},
url = {http://dx.doi.org/10.1002/jcc.24847},
doi = {10.1002/jcc.24847},
pages = {2118--2126},
keywords = {molecular modeling, protein-ligand docking, multi-objective optimization, genetic algorithms, metallopeptides},
year = {2017},
}