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adsorption-file-parser

A pure python parser to sorption files from various instrumentation manufacturers.

adsorption_tools

Example tools for modeling adsorption processes using the API tools from http://adsorption.nist.gov

adsorptioninformationformat

A universal file format for gas adsorption experiments

article_templates

Templates for use in preparing articles for the Living Journal of Computational Molecular Sciences (LiveCoMS)

atomistic-software

Tracking citations of atomistic simulation engines

bpipmds

Best Practices for Computing Interfacial Properties from Molecular Dynamics Simulations

codata

Repository that supplies key physical constants from CODATA recommendations

curated-cofs

Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs

dac_materials_search

Tools to search public adsorption databases for potential DAC materials

dws_latex_template

example_paper1

feasst

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 methods.

feasst_analysis

Analysis Package for FEASST Flat Histogram Monte Carlo Simulations

git-tagging-mwe

isotherm-digitizer-panel

Contribution form for NIST adsorption isotherm database implemented using pyviz panel

jfl_authors

journal_information

Information and documents supporting the work of the Living Journal of Computational Molecular Sciences (LiveCoMS)

lammps_examples

Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models

livecoms-atomistic-software

Git repository accompanying the LiveCoMS perpetual review on atomistic.software

livecomsjournal.github.io

Content for policy/instructional pages of the Living Journal of Computational Molecular Science (LiveCoMS)

lnpi

m-cbac

matdb_names

Algorithms for data mining the synonym list of NIST MATDB (https://adsorption.nist.gov/matdb)

mof_handler

Package of utilities to handle manipulation of MOF structures from CIF and XYZ files

nist_srsw_data

open-source-policy

This repository contains the official Open Source Policy of 18F

panel

A high-level app and dashboarding solution for Python

pyemma_tutorials

How to analyze molecular dynamics data with PyEMMA

sampling-uncertainty

Best Practices article intended for LiveCoMS

scrapyarticles

Using scrapy in the command line to find articles from their DOIs