This focused workshop is dedicated to the Integrated Database IDA and ADAMS4SIMS, a special-purpose database currently under development under support of EXA4MIND project (https://exa4mind.eu/) to integrate data from molecular dynamics simulations, force fields, and experimental measurements.
The main objective of ADAMS4SIMS is to establish a curated and standardized data backbone for AI-assisted force-field development, with a primary focus on nucleic acid force fields, especially RNA force fields. This effort raises important challenges related to data standardization, preprocessing,and data curation.
The workshop will bring together a small group of experts actively working in molecular simulations, data infrastructure, and scientific databases to discuss these challenges in depth. Particular attention will also be given to future perspectives and potential collaboration with other EU-based databases and data infrastructures, aiming to promote interoperability and shared standards within the European research ecosystem.
The first day will focus on presentations and open discussions about database infrastructure, data curation, and interoperability. On the second day, a hands-on training session will follow, providing participants with practical experience using ADAMS4SIMS and its data-upload tools.
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This workshop is supported by the EXA4MIND project - the European Union’s Horizon Europe research and innovation programme under grant agreement No. 101092944.
