lmhale99 Goto Github PK

atomman

Atomistic Manipulation Toolkit

atomman-demo

Demonstration Jupyter Notebooks for atomman

atomman-feedstock

A conda-smithy repository for atomman.

cordrapy

This is a simple Python library for interacting with the REST interface of an instance of Cordra

datamodeldict

DataModelDict class for representing data models equivalently in Python, JSON, and XML.

datamodeldict-feedstock

A conda-smithy repository for datamodeldict.

gbpy

GBpy is an opensource python package for calculating the geometric properties of interfaces in crystals.

iprpy

NIST Interatomic Potential Repository property calculation tools

iprpy-demos

iprpy-feedstock

A conda-smithy repository for iprpy.

iprpy_diatom_scan

Stand-alone diatom_scan calculation

jarvis_leaderboard

Explore State-of-the-Art Materials Design Methods: https://arxiv.org/abs/2306.11688

kimanalysis

Tools for querying the openKIM project's databases

mdcs-api-tools

meam2nn

LAMMPS converter for 2NN MEAM potentials

numericalunits-feedstock

A conda-smithy repository for numericalunits.

potentials

API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed properties.

potentials-feedstock

A conda-smithy repository for potentials.

potentials-library

Complete library directory for the potentials Python package, i.e. contains copies of records from potentials.nist.gov

pycdcs

Python class for interacting with CDCS databases

pymdcs

Python interface for 1.X MDCS databases

similarity

Avoid duplicating a record in a record store by providing a similarity criteria.

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

sw_wfnho

modified Stillinger-Weber potential for including Si-O interactions

travis-test

testing travis-ci and snakemake

yabadaba

Yay, a base database! An abstraction layer allowing for common interactions with Mongo, CDCS and local directory databases and records.

yabadaba_demo

Demonstration records for use with yabadaba