MADE in SC | SC EPSCoR

Broad Based Materials Database

• Materials Data Resources: Registration of materials resources, bridging the gap between existing resources and the end users
• The Materials Data Facility (MDF): A way to publish, discover, and access materials datasets.

Inorganic Materials Databases and Crystal Structure Databases

• Inorganic Crystal Structures Database (ICSD): Database for completely identified inorganic crystal structures. Inorganic experimental more than 159,000 materials.
• Crystallography Open Database (COD): Collection of crystal structures of organic, inorganic, metal-organics compounds and minerals.
• The Cambridge Structural Database (CSD): Repository for small-molecule organic and metal-organic crystal structures, over one million structures from x-ray and neutron diffraction analyses.
• Automatic Flow for Materials Discovery (AFLOW): Multi-purpose repository databases of material properties generated using the HT framework AFLOW.
• Materials Project (MP): Multi-purpose repository with more than 120K inorganic compounds structures and properties.
• Open Quantum Materials Database (OQDM): Database of DFT-calculated thermodynamic and structural properties.
• Computational Materials Repository (CMR): Multi-purpose (3D and 2D materials) repository.
• Organic Materials Database (OMDB): Electronic structure database for 3-Dimensional organic crystals.
• Materials Web: Databases of structural, electronic, and thermodynamic data for 2D/3D materials.
• JARVIS-DFT: Database of functional materials and two-dimensional layered materials.
• Novel Materials Discovery Laboratory Database (NOMAD): NOMAD Repository contains ab-initio electronic-structure data from density-functional theory and methods beyond.
• Materials Cloud: Educational database in computational materials science.
• Super Conducting Material Database (SuperCon): Numerical database for superconducting materials.
• Metal Organic Framework Database (MOFDB): Metal organic framework materials structures.
• International Center for Diffraction Data (ICDD): Database of organic and organic diffraction data for materials identification.
• Materials Data Repository: A materials science data repository.
• Inorganic Materials Database (NMIS): The Inorganic Material Database aims to cover all basic crystal structure, x-ray diffraction, property and phase diagram data of inorganic and metallic materials from literature.
• Knowledgebase of Interatomic Models (OpenKIM): Interatomic models are archived in OpenKIM, verified for coding integrity, and tested by computing their predictions for a variety of material properties.

Polymer Database

• Polymer Database (PoLyInfo): Polymer Database “PoLyInfo” provides various data required for polymeric material design. The main data source is academic literature on polymers.
• Polymer Property Predictor and Database (PPPDB): Primarily deals with computational prediction of structural, thermodynamic properties of polymers.
• WebFF: WebFF is an open and extensible molecular dynamics force-field (FF) repository, designed to support the Materials Genome Initiative (MGI) for organic and related soft materials.
• The Configurable Data Curation System (CDCS): The Configurable Data Curation System developed at NIST and also known as the CDCS or Curator, provides a means for capturing, sharing, and transforming unstructured data into a structured format based on the Extensible Markup Language (XML). It can be applied to any area and is agnostic to the type of data.
• The Configurable Data Curation System (CDCS): The Configurable Data Curation System developed at NIST and also known as the CDCS or Curator, provides a means for capturing, sharing, and transforming unstructured data into a structured format based on the Extensible Markup Language (XML). It can be applied to any area and is agnostic to the type of data.
• Polymer Properties Database: Huge range of polymers mainly focusing on its thermophysical properties (experimental and calculated).

Biological Database

• Protein Databank (RCSB): RCSB PDB (Research Collaboratory for Structural Bioinformatics PDB is a database for the 3D structure of proteins, nucleic acids, and complex assemblies.
• Genotype-Tissue Expression (GTEx) Portal: The Genotype-Tissue Expression (GTEx) project provides access the data of tissue-specific gene expression and regulation, QTLs, and histology images.
• The Cancer Genome Atlas (TCGA): The Cancer Genome Atlas (TCGA) provides a unified data repository on genomic, clinical, and biospecimen data from cancer.
• The Human Protein Atlas: Data for exploration of the human proteome.
• Structurally Annotated Therapeutic Peptide Database (SATPdb): Database of structurally annotated therapeutic peptides.
• Gene Expression Omnibus (GEO): Gene Expression Omnibus (GEO) is a public functional repository that archives and freely distributes microarray, next-generation sequencing, and other forms of high-throughput functional genomics data.