@PhasesResearchLab
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PhasesResearchLab

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  • Stars
    star
    107
  • Global Org. Rank 55,983 (Top 18 %)
  • Registered over 7 years ago
  • Most used languages
    Python
         55.6 %
    Jupyter Notebook
         27.8 %
    Ruby
         5.6 %
    Gnuplot     5.6 %
    TeX
         5.6 %
  • Location 🇺🇸 United States
  • Country Total Rank 42,312
  • Country Ranking
    Gnuplot     59
    TeX
         1,017
    Python
         7,762

Top repositories

1

ESPEI

Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
Python
60
star
2

pySIPFENN

Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dilute, and random atomic configurations, and (3) automated model tuning.
Python
19
star
3

dfttk

Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.
Python
14
star
4

ESPEI-datasets

Datasets to be used by ESPEI. CC-BY-4.0
TeX
12
star
5

ARCHIVED-dfttk-20210211

Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.
Python
10
star
6

dfttk2

DFTTK is a Python package for automating VASP workflows and storing the relevant results on MongoDB.
Python
4
star
7

SoftwareProjects

An index of all software our group members are working on! Deploys a website at:
Ruby
4
star
8

prlworkflows

High-throughput workflows and scripts for the Phases Research Lab with atomate
Python
4
star
9

MaterialsMap

MaterialsMap is Python package for mapping properties, manufacturing feasibility, and desirability. We focus on guiding materials design graphically while proving API to underlying methods.
Python
3
star
10

ZentropyChapter

Staging repository for contributions on Zentropy to the upcoming MGF Open Textbook on Thermodynamics
2
star
11

ULTERA-contribute

A template repository for contributing to the ULTERA Database. Simply (1) fork it, (2) fill out the template, and (3) let us know the link.
Python
2
star
12

scheil-solidification-ti64-invar

Jupyter Notebook
2
star
13

nanograin

Implements a thermodynamic model developed by Darling et al. (Comput. Mater. Sci., vol. 84, pp. 255–266, 2014) to understand grain size stability in nano-sized alloys
Python
2
star
14

PyQAlloy

PyQAlloy: Python tools for ensuring the Quality of Alloys data
Python
1
star
15

dfttk_example

Gnuplot
1
star
16

2018-CALPHAD-Workshop

Jupyter Notebook
1
star
17

PSU-MatSE580-2020

Jupyter Notebook
1
star
18

PSU-MatSE410

Jupyter Notebook
1
star
19

prl-onboard

Phases Research Lab Onboarding
Jupyter Notebook
1
star