ioChem-BD, a digital repository aimed to manage, store and publish Computational Chemistry Datasets, has been endorsed by the American Chemical Society (ACS). The society explicitly recommends ioChem-BD on their latest guidelines for the submission of manuscripts reporting computational results.

The ACS states that it is critical to share data in a Findable, Accessible, Interoperable and Reusable (FAIR) way, a key element of ioChem-BD. Last year, ioChem also saw its value recognised by FAIRsharing, a community-driven resource working to enable the FAIR Principles and to make Standards, Knowledgebases, Repositories and Data Policies FAIR.

ioChem-BD was made public in 2015 by the ICIQ Computational chemistry groups    (Bo,  López and  Maseras) in collaboration with Universitat Rovira i Virgili (URV). If you wish to run your own instance of ioChem-BD, you may request your free copy here. If instead, you prefer to run an account in the servers at the Barcelona Supercomputing Center (BCS-CNS), you can apply for a free user account using this form. You can also check the latest features of ioChem-BD (v2.7) here. The latest version introduces tools to handle codes widely used for running molecular simulations, such are Gromacs and Amber.