Open Babel

  • Level of openness 3 ★★★
  • Document quality 3 ★★★

An open-source application for translating chemical structure format files. More than 110 formats are supported. This application is actively being developed taking into account use and construction of database and application to infomational technology in chemistry (chemoinformatics). A graphical user interface is alsp provided for Windows.

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OpenKIM

  • Level of openness 3 ★★★
  • Document quality 3 ★★★

Open-source tools and a database for molecular simulation. Data of molecular models (interatomic potentials and force fields), result data of molecular simulation, and test tools can be downloaded freely. API (Application Programming Interface) for exchanging information between atomistic simulation codes and interatomic models is also provided.

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pymatgen

  • Level of openness 3 ★★★
  • Document quality 3 ★★★

A python library for materials analysis. Flexible classes for representation of materials are prepared, and data for crystal structures and various material properties can be handled efficiently. This application can performs analysis of phase diagrams, Pourbaix diagrams, diffusion analyses etc. as well as electronic structure analyses such as density of states and band structures. This software is being actively developed keeping close relation with Materials Project.

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Starrydata

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

Starrydata is an open database of experimental data from figures in published papers. Thermoelectric properties such as Seebeck coefficient, electrical resistivity and thermal conductivity are presented mainly on thermoelectric materials.

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TensorNetwork

  • Level of openness 3 ★★★
  • Document quality 2 ★★☆

An open source library for implementing tensor networks. It is developed based on TensorFlow and is designed to be easily used by experts in the field of machine learning as well as in the field of physics. In addition to TensorFlow, it includes wrappers for JAX, PyTorch, and Numpy.

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