The NIST scan framework is a framework that greatly simplifies the process of writing and maintaining scans of experimental parameters using the ARTIQ control system and language. The framework adopts the philosophy of convention over configuration where datasets are stored for analysis and plotting in a standard directory structure. The framework provides a number of useful features such as automatic calculation of statistics, fitting, validation of fits, and plotting that do not need to be performed by the user.

ANDiE the Autonomous Neutron Diffraction Explorer is a tool for autonomously discovering the magnetic transition temperature and transition dynamics of a material from neutron diffraction experiments. The Jupyter notebooks used to implement ANDiE can be found here: https://github.com/usnistgov/ANDiE-v1_0 The Jupyter notebooks contained therein are of ANDiE as implemented at the WAND2 instrument at the HB-2C beamline at the High-Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL).

Code and demonstration data for the paper, "On-the-fly closed-loop materials discovery via Bayesian active learning," Kusne, A.G., Yu, H., Wu, C. et al. Nat Commun 11, 5966 (2020). https://doi.org/10.1038/s41467-020 19597-w Code: Closed-loop autonomous materials exploration and optimization. This code is used to control an autonomous materials exploration and optimization platform. It guides subsequent experiments to learn about a material's phase map and target functional properties in a unified framework.

The library multicomplex is an implementation of multicomplex algebra in C++ to allow for higher-order derivatives of numerical functions. Many (though not all) mathematical functions are implemented, allowing for calculation of derivatives (straight and mixed) to approximately numerical precision, which is difficult or impossible to achieve in conventional double precision

Python module "optbayesexpt" uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given a parametric model - analogous to a fitting function - Bayesian inference uses each measurement "data point" to refine model parameters. Using this information, the software suggests measurement settings that are likely to efficiently reduce uncertainties. A TCP socket interface allows the software to be used from experimental control software written in other programming languages.

This software is a Python module for estimating uncertainty in predictions of machine learning models. It is a Python package that calculates uncertainties in machine learning models using bootstrapping and residual bootstrapping. It is intended to interface with scikit-learn but any Python package that uses a similar interface should work.

SEDCORR is an open-source Python module designed to correct for the systematic energy deficits in atom probe mass spectra of electrically insulating samples. The assumption of the algorithm is that the mass spectrum for a dataset is conserved throughout the dataset and that any changes to the peak positions arise from an unknown slowly-fluctuating accelerating voltage. For computational speed, the unknown accelerating voltage is determined using a template matching FFT-based cross correlation method.

Thermal conductivity data acquired previously for the establishment of Standard Reference Material (SRM) 1450, Fibrous Glass Board, as well as subsequent renewals 1450a, 1450b, 1450c, and 1450d, are re-analyzed collectively and as individual data sets. Additional data sets for proto-1450 material lots are also included in the analysis (eleven data sets in total).

This dataset was an initial test harness infrastructure test for the TrojAI program. It should not be used for research. Please use the more refined datasets generated for the other rounds. The data being generated and disseminated is training, validation, and test data used to construct trojan detection software solutions. This data, generated at NIST, consists of human level AIs trained to perform a variety of tasks (image classification, natural language processing, etc.).

SCATMECH is a library of object-oriented C++ computer codes originally developed for disseminating models for polarized light scattering from surfaces and aerosols and for diffraction from gratings. The pySCATMECH package has been developed as an interface to the SCATMECH library, simplifying use of the codes and allowing for more rapid development of software for these applications.