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The ColabFit Exchange is an online resource for the discovery, exploration and submission of datasets for data-driven interatomic potential (DDIP) development for materials science and chemistry applications. ColabFit's goal is to increase the Findability, Accessibility, Interoperability, and Reusability (FAIR) of DDIP data by providing convenient access to well-curated and standardized first-principles and experimental datasets. Content on the ColabFit Exchange is open source and freely available.
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AusGeochem is an easy-to-use platform for uploading, visualising, analysing and discovering georeferenced sample information and data produced by various geoscience research institutions such as universities, geological survey agencies and museums. With respect to analytical research laboratories, AusGeochem provides a centralised repository allowing laboratories to upload, archive, disseminate and publish their datasets. The intuitive user interface (UI) allows users to access national publicly funded data quickly through the ability to view an area of interest, synthesise a variety of geochemical data in real-time, and extract the required data, gaining novel scientific insights through multi-method data collation. Lithodat Pty Ltd has integrated built-in data synthesis functions into the platform, such as cumulative age histograms, age vs elevation plots, and step-heating diagrams, allowing for rapid inter-study comparisons. Data can be extracted in multiple formats for re-use in a variety of software systems, allowing for the integration of regional datasets into machine learning and AI systems.
PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine learning algorithms to predict protein–ligand affinity or mutation's effect on it which requires an extensive amount of data with a wide coverage of mutation types and small molecules. Also, studies of protein-ligand interactions and conformer orientation changes across different mutated versions of a protein can be established using data from PSnpBind.