The purpose of this software and data is to enable reproduction and facilitate extension of the computational results associated with the following referenceDeJaco, R. F.; Majikes, J. M.; Liddle, J. A.; Kearsley, A. J. Binding, Brightness, or Noise? Extracting Temperature-dependent Properties of Dye Bound to DNA. Biophysical Journal, 2023, https://doi.org/10.1016/j.bpj.2023.03.002.The software and data can also be found at https://github.com/usnistgov/dye_dna_plates.

A python package to analyze ``lnPi`` data from Transition Matrix Monte Carlo(TMMC) simulation. The main output from TMMC simulations, ``lnPi``, provides a means to calculate a host of thermodynamicproperties. Moreover, if ``lnPi`` is calculated at a specific chemical potential, it can be reweighted to providethermodynamic information at a different chemical potential. The python package``tmmc-lnpy`` provides a wide array of routines to analyze ``lnPi`` data.

Polarized Resonant Soft X-ray scattering (P-RSoXS) has emerged as a powerful synchrotron-based tool to measure structure in complex, chemically heterogeneous systems. P-RSoXS combines principles of X-ray scattering and X-ray spectroscopy; this combination provides unique sensitivity to molecular orientation and chemical heterogeneity in soft materials such as polymers and biomaterials.

`analphipy` is a python package to calculate metrics for classical models for pair potentials. It provides a simple and extendable api for pair potentials creation. Several routines to calculate metrics are included in the package. The main features of `analphipy` are 1) Pre-defined spherically symmetric potentials. 2) Simple interface to extended to user defined pair potentials. 3) Routines to calculate Noro-Frenkel effective parameters. 4) Routines to calculate Jensen-Shannon divergence.

Image Processing in Python for 3D image stacks, or imppy3d, is a softwarerepository comprising mostly Python scripts that simplify post-processing and3D shape characterization of grayscale image stacks, otherwise known asvolume-based images, 3D images, or voxel models. imppy3d was originally createdfor post-processing image stacks generated from X-ray computed tomographymeasurements. However, imppy3d also contains a functions to aid inpost-processing general 2D/3D images.Python was chosen for this library because of it is a productive, easy-to-uselanguage.

The main goal of `pyproject2conda` is to provide a means to keep all basicdependency information, for both `pip` based and `conda` based environments, in`pyproject.toml`. I often use a mix of pip and conda when developing packages,and in my everyday workflow. Some packages just aren't available on both. The application provides a simple comment based syntax to add information to dependencies when creating `environment.yaml`. This package is actively used by the author, but is still very much a work inprogress.

The dataset can be used to develop and test algorithms for communication and sensing in the 60GHz band. The dataset consists of synthetically generated indoor mm-wave channels between a MIMO transmitter and a MIMO receivers. Multiple targets are moving in the room. Number of targets, velocity of each target and trajectory are randomized across the dataset. The dataset contains also noisy received IEEE 802.11ay channel estimation fields. The dataset is suitable for development and testing of machine/deep learning algorithms.

This software and data have been superseded. Please visit https://doi.org/10.18434/mds2-2532

Here we provide curated analytical chemistry data for eggs collected from 1999 to 2010 on a subset of species and analytes that were measured regularly and reasonably systematically. Included in this publication are 487 samples analyzed for 174 ubiquitous environmental contaminants such as (poly)brominated diphenyl ethers (BDEs), mercury, organochlorine pesticides (OCPs), and polychlorinated biphenyls (PCBs). Data were collated to form a dataset useful in chemometric and related analyses of the marine ecosystem in the north Pacific Ocean.

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.