Dear list, I am very pleased to announce the first official release of ACPC.
ACPC is an open source tool for ligand-based virtual screening (a chemoinformatics task), using autocorrelation of partial charges. A very short documentation with some usage examples is available here: https://github.com/UnixJunkie/ACPC/blob/master/README.md The scientific article is freely available here: http://www.jcheminf.com/content/6/1/23/abstract The source code is here: https://github.com/UnixJunkie/ACPC The dataset used to validate the software is here: http://www.riken.jp/zhangiru/\ software/DUD_ACPC_1.0_validation.tar.xz The funny logo was kindly created by my colleague, Dr. Arnout Voet. -- Best regards, Francois Berenger. ------------------------------------------------------------------------------ "Accelerate Dev Cycles with Automated Cross-Browser Testing - For FREE Instantly run your Selenium tests across 300+ browser/OS combos. Get unparalleled scalability from the best Selenium testing platform available Simple to use. Nothing to install. Get started now for free." http://p.sf.net/sfu/SauceLabs _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
