Found 19 datasets matching "Molecular simulation".
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This is a python package to perform thermodynamic extrapolation andinterpolation of observables calculated from molecular simulations. This allowsfor more efficient use of simulation data for...
Search relevance: 98.70 | Views last month: 0 -
The Standard Reference Simulation Website is an ongoing project whose aim is to provide well-documented simulation results for a variety of systems and from various simulation techniques. The data...
Search relevance: 95.37 | Views last month: 0 -
The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free, open-source, modular program to conduct molecular and particle-based simulations with flat-histogram Monte Carlo and...
Search relevance: 90.55 | Views last month: 0 -
Parameters, input scripts, and molecular dynamics simulation results corresponding to the simulations performed for the paper "Entropy Scaling for Viscosity for Molecular Models of Molten Salts"...
Search relevance: 47.99 | Views last month: 1 -
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...
Search relevance: 46.40 | Views last month: 1 -
This repository provides a source for interatomic potentials (force fields), related files, and evaluation tools to help researchers obtain interatomic models and judge their quality and...
Search relevance: 45.72 | Views last month: 1 -
Background This work represents an extensive MD simulation / water-dynamics studies on a series of complexes of inhibitors (leupeptin, E-64, E-64-C, ZPACK) and plant cysteine proteases...
Search relevance: 44.42 | Views last month: 0 -
PDF - Pesticide mix and quantification, recovery test, photos of cultivated kale, by site, histogram of recovery values, scatter plot of RT versus recovery values, calibration curves for nDATA...
Search relevance: 38.45 | Views last month: 0 -
Description included in the dataset. This dataset is associated with the following publication: DeMarini, D., S. Warren, K. Lavrich, A. Flen, J. Aurell, B. Mitchell, D. Greenwell, B. Preston, J....
Search relevance: 38.40 | Views last month: 0 -
The Visible Infrared Imaging Radiometer Suite (VIIRS) (https://lpdaac.usgs.gov/dataset_discovery/viirs) daily surface reflectance Climate Modeling Grid (VNP09CMG) Version 1 product provides an...
Search relevance: 31.57 | Views last month: 0 -
CyRSoXS: A GPU-accelerated virtual instrument for Polarized Resonant Soft X-ray Scattering (P-RSoXS)
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...
Search relevance: 30.51 | Views last month: 0 -
TheVNP09CMG_NRT is a Near Real Time (NRT) daily surface reflectance Climate Modeling Grid Version 2 product which provides an estimate of land surface reflectance from the NASA/NOAA Suomi National...
Search relevance: 28.40 | Views last month: 0 -
The VJ109CMG_NRT is a Near Real Time (NRT) daily surface reflectance Climate Modeling Grid Version 2 product which provides an estimate of land surface reflectance from the NOAA-20 (previously...
Search relevance: 28.30 | Views last month: 0 -
Although many volatile organic compounds (VOCs) are regulated to limit air pollution and the consequent health effects, the photooxidation products generally are not. Thus, we examined the...
Search relevance: 25.33 | Views last month: 0 -
The VNP09CMG VIIRS Version 1 data product was decommissioned on April 8th, 2025. Users are encouraged to use Version 2 data products, which provide [better calibration and...
Search relevance: 23.02 | Views last month: 0 -
The Visible Infrared Imaging Radiometer Suite (VIIRS) daily surface reflectance Climate Modeling Grid (VNP09CMG) Version 2 product provides an estimate of land surface reflectance from the...
Search relevance: 22.16 | Views last month: 0 -
The Visible Infrared Imaging Radiometer Suite (VIIRS) daily surface reflectance Climate Modeling Grid (VJ109CMG) Version 2 product provides an estimate of land surface reflectance from the NOAA-20...
Search relevance: 21.54 | Views last month: 0
