BioSimDR – A Collection of Data Tools and Infrastructure for Biomolecular Simulation
On 23rd April 2026, the Physical Sciences Data Infrastructure (PSDI) hosted a webinar titled “BioSimDR – A Collection of Data Tools and Infrastructure for Biomolecular Simulation”, presented by Dr Jas Kalayan. This webinar showcases how BioSim Data Resources (BioSimDR) enables interoperable, provenance-rich biomolecular simulation data and improves reproducibility through its tools and BioSimDB.
For those who missed the live session or wish to revisit the discussion, the full webinar is available on our YouTube channel.
The slides are available on zenodo: https://zenodo.org/records/19946899
Stay tuned for future PSDI webinars by subscribing to our YouTube playlist: PSDI Webinar Series.
Abstract: This webinar illustrates how BioSim Data Resources (BioSimDR) transforms scattered biomolecular simulation data into interoperable, provenance-rich resources for broader reuse, and showcase how BioSimDR tools can overcome common barriers to simulation reproducibility, including inaccessible protocols, missing metadata, and incomplete records of simulation steps. Through real-world examples, attendees will see how BioSimDB, a prototype data repository for biomolecular simulations, and new provenance-capture tools can automatically record every simulation step, enabling easier sharing, reuse, and reproducible research.
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