rocs posit gameplan freeform toolkit development platform cheminformatics modeling custom code crystallography databases iridium database pka database conformational databases jupyter notebooks data preparation filter omega quacpac other vida pka prospector business licensing philosophy pricing academic licensing request evaluation science publications presentations webinars cup events white papers sampl support documentation downloads platforms training report a bug about news & events philosophy staff careers contact us subscribe search google orion the evolution of molecular design learn more orion the evolution of molecular design learn more openeye solutions lead discovery lead discovery searching large numbers of molecules to find the small fraction with biological activity is a challenging problem . want to search millions of molecules in fractions of a minute using 3d similarity learn more lead optimization lead optimization generation of new ideas for structural modification of a lead molecule can be straightforward ; prioritizing those ideas is difficult . want to find new directions for your discovery project learn more customization customization openeye offers a custom coding service to help customers develop and deploy solutions specific to their problems and their workflows . want to see if our custom coding service could help your endeavor learn more cheminformatics cheminformatics openeye offers an extensive set of cutting edge cheminformatics toolkits across a wide range of platforms and languages . want to integrate your disparate chemical information and turn it into focused knowledge learn more crystallography crystallography afitt is the only software available to offer a fully automatic ligand fitting process that optimizes ligand fit to density while minimizing conformational strain . want to obtain significantly better ligand conformations within refined structures learn more databases databases openeye offers 3 types of databases pre computed omega libraries emolecules & namiki the iridium database and pka data . want to see how these data can enhance your results learn more jupyter notebooks jupyter notebooks jupyter notebooks provide a useful context for examples using openeye toolkits . want to see how to use the toolkits find examples of integrating openeye with other scientific packages or download sample solutions of common problems in computational chemistry learn more database preparation database preparation a properly prepared database is the first step towards a successful virtual screening campaign . want to find out how to remove undesirable compounds handle tautomers and charges and generate conformers once for rapid downstream applications learn more featured news cup xvii march 6 8 2017 our next cup event will be held at the inn and spa at loretto in santa fe . for more information about the event click below . cup xvii featured news jcup viii may 25 26 2017 our next jcup event will be held in tokyo japan . for more information about the event click below . jcup viii featured news minicup events 2016 sept. 27 oct. 27 2016 openeye is hosting six minicup events at locations on the us east and west coasts as well as in europe . for more information on each event please click on the link below . minicup events 2016 applications rocsoedockingomegaszybki freeformbroodszmap gameplan all applications toolkits oechemtkshape tkgrapheme tksitehopperfastrocs tkjupyter notebooks all toolkits resources code contributions licensing documentation downloads python cookbook webinar directory blogs more resources news & events quacpac 1.7.0 releasedwebinar brood & gameplan 10 12 16minicup basel 2016 10 25 16minicup london 2016 10 27 16subscribe to news and announcements more news & events contactevaluateacademic 2016 openeye scientific software