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Block-Sphere Vector Quantization GroupAffect-4: A Multimodal Dataset of Four-Person Collaborative Interaction CogScale: Scalable Benchmark for Sequence Processing TextAlign: Preference Alignment for Text Rendering with Hierarchical Rewards LogRouter: Adaptive Two-Level LLM Routing for Log Question Answering in Big Data Systems Agentic Cost-Aware Query Planning with Knowledge Distillation for Big Data Analytics Covariance Structure and Coordinate Heterogeneity Govern Binary Quantization of Contrastive Embeddings IVF-TQ: Calibration-Free Streaming Vector Search via a Codebook-Free Residual Layer Automatic Unsupervised Ensemble Outlier Model Selection--Extended Version A Generative AI Framework for Intelligent Utility Billing CO 2 Analytics and Sustainable Resource Optimisation Towards Foundation Models for Relational Databases with Language Models and Graph Neural Networks Gaussian Relational Graph Transformer Croissant Baker: Metadata Generation for Discoverable, Governable, and Reusable ML Datasets Reducing Hallucination in Vision-Language Models via Stage-wise Preference Optimization under Distribution Shift A Horn extension of DL-Lite with NL data complexity 3D Primitives are a Spatial Language for VLMs Enabling AI-Native Mobility in 6G: A Real-World Dataset for Handover, Beam Management, and Timing Advance A CAP-like Trilemma for Large Language Models: Correctness, Non-bias, and Utility under Semantic Underdetermination EpiCastBench: Datasets and Benchmarks for Multivariate Epidemic Forecasting FERMI: Exploiting Relations for Membership Inference Against Tabular Diffusion Models Toward Multi-Database Query Reasoning for Text2Cypher Autonomous FAIR Digital Objects: From Passive Assertions to Active Knowledge HOME-KGQA: A Benchmark Dataset for Multimodal Knowledge Graph Question Answering on Household Daily Activities Detect, Localize, and Explain: Interactive Hierarchical Log Anomaly Analytics with LLM Augmentation Open Ontologies: Tool-Augmented Ontology Engineering with Stable Matching Alignment Machine Learning-Based Pre-Test Risk Stratification for PCR-Confirmed Chlamydia Using Patient-Reported Data and Urine Biomarkers Reconciling Consistency-Based Diagnosis with Actual-Causality-Based Explanations PrepBench: How Far Are We from Natural-Language-Driven Data Preparation? Anatomy of a Query: W5H Dimensions and FAR Patterns for Text-to-SQL Evaluation Building informative materials datasets beyond targeted objectives
optimade-maker: Automated generation of interoperable mat...
Kristjan Eimre, Matthew L. Evans, Bud Macaulay, Xing Wang, Juson · 2026-03-13 · via cs.DB updates on arXiv.org

Atomistic structural data are 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 reusable clients and tools, and is essential for cross-database analyses and data-driven materials discovery. Toward this aim, the OPTIMADE (Open Databases 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-compliant APIs directly from raw atomistic structure and property data. The toolkit supports a wide range of raw datasets, enables conversion to a standardised 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 automatically creates and publishes OPTIMADE APIs for contributed datasets, enabling immediate discoverability and interoperability. In addition, we implement data transformation pipelines for the Cambridge Structural Database (CSD) and the Inorganic Crystal Structure Database (ICSD), enabling unified access to these curated resources through the OPTIMADE framework. By lowering the technical barriers to interoperable data publication, optimade-maker represents an important step toward a scalable, FAIR materials data ecosystem integrating both community-contributed and curated databases.