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SUMMARY:optimade-maker: Automated generation of interoperable materials AP
 Is from static datasets
DTSTART:20260325T140000Z
DTEND:20260325T150000Z
DTSTAMP:20260420T025300Z
UID:indico-event-18664@indico.psi.ch
CONTACT:matthias.krack@psi.ch
DESCRIPTION:Speakers: Kristjan Eimre (PSI)\n\nAtomistic structural data ar
 e central to materials science\, condensed matter physics\, and chemistry\
 , and are increasingly digitised across diverse repositories and databases
 . Interoperable access to these heterogeneous data sources enables reusabl
 e clients and tools\, and is essential for cross-database analyses and dat
 a-driven materials discovery. Toward this aim\, the OPTIMADE (Open Databas
 es Integration for Materials Design) specification defines a standard REST
  API for atomistic structures and related properties. However\, deploying 
 and maintaining compliant services remains technically demanding and poses
  a significant barrier for many data providers. Here\, we present optimade
 -maker\, a lightweight toolkit for the automated generation of OPTIMADE-co
 mpliant APIs directly from raw atomistic structure and property data. The 
 toolkit supports a wide range of raw datasets\, enables conversion to a st
 andardised OPTIMADE data representation\, and allows for rapid deployment 
 of APIs in both local and production environments. We further demonstrate 
 it through an automated service on the Materials Cloud Archive\, which aut
 omatically creates and publishes OPTIMADE APIs for contributed datasets\, 
 enabling immediate discoverability and interoperability. In addition\, we 
 implement data transformation pipelines for the Cambridge Structural Datab
 ase (CSD) and the Inorganic Crystal Structure Database (ICSD)\, enabling u
 nified access to these curated resources through the OPTIMADE framework. B
 y lowering the technical barriers to interoperable data publication\, opti
 made-maker represents an important step toward a scalable\, FAIR materials
  data ecosystem integrating both community-contributed and curated databas
 es.\n\nhttps://indico.psi.ch/event/18664/
LOCATION:OVGA/200
URL:https://indico.psi.ch/event/18664/
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