ioChemBD-EXPAND

Description of solution

R&D departments in computational materials design face challenges managing vast data volumes. Traditional storage methods hinder accessibility, collaboration, and reproducibility. The lack of centralised repositories limits sharing findings and deriving new data-driven research. Funding agencies requires researchers to adopt OpenData good practices. ioChem-BD offers a comprehensive solution to the data management challenges: it enables to reduce storage needs and organises data in a structured manner, facilitating easy retrieval, collaboration, and reproducibility. This solution holds a proved 10 years’ experience and broad acceptance among companies (already with customers) and the academic community.

Advantages and unique selling points

• Material science, small molecules, biomolecules and catalysis.
• Open-source.
• Data tools. and visual tools integrated in the platform.
• Data saving and data sharing.
• Specific file formats.