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61 results found

A Synthetic Methodology for Preparing Impregnated and Grafted Amine-Based Silica-Composites for Carbon Capture

Data provided by  National Institute of Standards and Technology

The database includes thermal data analysis for silica-composites that conclude the loading amount of amine adsorbents of each composite as well as each specimen's ability to adsorb CO2. The data repository includes raw data files for: thermogravimetric analysis (TGA) weight loss and CO2 adsorption traces, and Fourier Transform Infrared Spectroscopy (FTIR) spectra?s. For more information see the readme and data documentation. A complete manuscript describing data collection, analysis, and database documentation is to be published. File formats for data include: .txt and .csv.

Tags: FTIR,thermal analysis,DSC,TGA,optical microscopy,Advanced Materials,direct air capture materials,

Modified: 2024-02-22

Views: 0

"pyproject2conda": A script to convert `pyproject.toml` dependencies to `environemnt.yaml` files.

Data provided by  National Institute of Standards and Technology

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.

Tags: python,devoloper tool,python packaging,

Modified: 2024-02-22

Views: 0

Sim-PROCESD: Simulated-Production Resource for Operations and Conditions Evaluation to Support Decision-making

Data provided by  National Institute of Standards and Technology

Sim-PROCESD is a discrete event simulation package written in Python that is designed to model the behavior of discrete manufacturing systems. Specifically, it focuses on asynchronous production lines. It also provides functionality for modeling the degradation and maintenance of machines in these systems. Sim-PROCESD provides class definitions for manufacturing devices/components that can be configured by the user to model various real-world manufacturing systems.

Tags: discrete-event simulation,manufacturing,production,maintenance,python,

Modified: 2024-02-22

Views: 0

4D-STEM characterization results from a thermal annealing series of poly(3[2-(2-methoxyethoxy)ethoxy]-methylthiophene-2,5-diyl) organic electrochemical transistor films

Data provided by  National Institute of Standards and Technology

This repository contains two types of datasets: 4D-STEM data collected from a thermal annealing series of P3MEEMT films. 4D-STEM data:Dose series: Collected from P3MEEMT film annealed at 115 C. Each HDF5 file was generated from the raw data using the fpdpy software package to reshape and embed metadata. No other preprocessing was performed. Annealing series: Collected from P3MEEMT films annealed at 75 C, 115 C, 145 C, and 175 C. Each temperature contains two sets of 4D-STEM data collected at low and high magnification.

Tags: Advanced Materials,Organic Semiconductors,4D-STEM,OECT,TEM,GIWAXS,

Modified: 2024-02-22

Views: 0

Software and Data associated with "Binding, Brightness, or Noise? Extracting Temperature-dependent Properties of Dye Bound to DNA"

Data provided by  National Institute of Standards and Technology

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.

Tags: fluorescence,numerical-optimization,mathematical-modeling,fluorescence-data,total-least-squares,python,intercalating dyes,noise-removal,

Modified: 2024-02-22

Views: 0

Imppy3d: Image processing in python for 3D image stacks

Data provided by  National Institute of Standards and Technology

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.

Tags: python,image processing,3d,x-ray,tomography,image stack,

Modified: 2024-02-22

Views: 0

Optimal Bayesian Experimental Design Version 1.2.0

Data provided by  National Institute of Standards and Technology

Python module 'optbayesexpt' uses optimal Bayesian experimental design methods to control measurement settings in order to efficiently determine model parameters. Given an 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.

Tags: GitHub pages template,experimental design,Bayesian,optbayesexpt,python,adaptive measurement,

Modified: 2024-02-22

Views: 0

analphipy: A python package to analyze pair-potential metrics.

Data provided by  National Institute of Standards and Technology

`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.

Tags: python,statistical mechanics,

Modified: 2024-02-22

Views: 0

CyRSoXS: A GPU-accelerated virtual instrument for Polarized Resonant Soft X-ray Scattering (P-RSoXS)

Data provided by  National Institute of Standards and Technology

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.

Tags: polymer,python,C++,CUDA,polymer nanocomposite,polymer solution,X-ray scattering,software,tool,computation,

Modified: 2024-02-22

Views: 0

tmmc-lnpy: A python package to analyze Transition Matrix Monte Carlo lnPi data.

Data provided by  National Institute of Standards and Technology

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.

Tags: python,molecular simulation,data analysis,Transition Matrix Monte Carlo,statistical mechanics,

Modified: 2024-02-22

Views: 0