Coming soon

v1.3 under development

Comming features

  • New computational packages. Priority: Siesta, then MOPAC, DFTB+, etc …
  • Multiple bug fixes
  • Improve Create module interface
  • Add substructure search functionality using RDKit toolkit

  • November 1, 2017

    New service released: ioChem-BD Find

    Coded new central service that syndicates calculations from all existing public ioChem-BD Browse modules.


    Explore new Find service at the following url:

    September 2, 2016

    v1.2 released

    New features

    February 18, 2016

    v1.1 released

    New features

    August 4, 2015

    v1.0 release

    Two major web services: Create and Browse. ioChem-BD software comes to fill the gap between chemical data generation and its publication on papers, journals, and other digital media.

    This new tool uses latest standards in data manipulation, curation, discovery and presentation. Not only speeding and leveraging tedious tasks such as data analysis and generation of SI.


    Data managed in a hierarchical manner: Projects/Calculations in Create, Community/Collection/Item in Browse

    ioChem-BD services can be feed from two different sources: