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atomate2

atomate2 is a library of computational materials science workflows

b.tech-project

compysite

Python library used to analyze fiber reinforced composite materials.

deus

examples

Examples for the book 'Data Science in Chemistry', ISBN: 978-3-11-062939-2, Published: 23 Nov 2020

intermediate-python-course

an intermediate Python course

machinelearning_acceptordonor

Code allows the use of different machine learning methods to predict efficiency of organic photovoltaics using different descriptors

mechmat

Python package for the definition of materials used during mechanical engineering calculations

pull-req-review

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

superconductor-extraction-paper-ieice2019

Source of the short paper titled "Proposal of Automatic Extraction Framework of Superconductors related Information from Scientific literature"

text2chem

RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.