Blue Obelisk Data Repository2 datasets
The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.
No Data — Description “Another core Blue Obelisk project is the development of a shared data repository. This repository lists many important chemoinformatics data such as elemental properties, atomic radii, etc. including references to original literature. Software developers can use this repository on online webpages or in chemistry software for free.” Repository There is ...
Offsite — Description From project website: > Chemical Structures [was] initiated in June 2006. It aims to provide a set of organic structures, which includes 3D coordinates, InChi code, molecular weight, melting point, etc. The last relase (v1.05) contains over 250 structures. License BSD license according to [SourceForge project ...