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Python Materials Genomics 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 (https://www.materialsproject.org).

Project Description

Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis. These are some of the main features:

  1. Highly flexible classes for the representation of Element, Site, Molecule, Structure objects.
  2. Extensive input/output support, including support for VASP (http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF, Gaussian, XYZ, and many other file formats.
  3. Powerful analysis tools, including generation of phase diagrams, Pourbaix diagrams, diffusion analyses, reactions, etc.
  4. Electronic structure analyses, such as density of states and band structure.
  5. Integration with the Materials Project REST API.

Pymatgen is free to use. However, we also welcome your help to improve this library by making your own contributions. These contributions can be in the form of additional tools or modules you develop, or feature requests and bug reports. Please report any bugs and issues at pymatgen’s Github page. If you wish to be notified of pymatgen releases, you may become a member of pymatgen’s Google Groups page.

Release History

Release History

This version
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2017.8.16

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2017.8.14

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2017.8.4

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2017.7.21

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2017.7.4

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2017.6.24

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2017.6.22

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2017.6.8

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4.7.7

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4.7.6

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4.7.5

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4.7.4

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4.7.3

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4.7.2

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4.7.1

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4.7.0

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4.6.2

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4.6.1

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4.6.0

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4.5.7

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4.5.6

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4.5.5

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4.5.4

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4.5.3

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4.5.2

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4.5.1

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4.5.0

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4.4.12

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4.4.11

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4.4.10

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4.4.9

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4.4.8

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4.4.7

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4.4.6

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4.4.5

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4.4.4

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4.4.3

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4.4.2

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4.4.1

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4.4.0

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4.3.2

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4.3.1

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4.3.0

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4.2.5

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4.2.4

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4.2.3

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4.2.2

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4.2.1

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4.2.0

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4.1.1

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4.1.0

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4.0.2

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4.0.1

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4.0.0

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3.7.1

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3.7.0

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3.6.1

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3.6.0

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3.5.3

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3.5.2

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3.5.1

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3.5.0

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3.4.0

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3.3.6

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3.3.5

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3.3.4

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3.3.3

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3.3.2

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3.3.1

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3.3.0

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3.2.10

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3.2.9

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3.2.8

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3.2.7

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3.2.6

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3.2.5

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3.2.4

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3.2.3

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3.2.2

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3.2.1

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3.2.0

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3.1.9

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3.1.8

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3.1.7

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3.1.6

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3.1.5

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3.1.4

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3.1.3

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3.1.2

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3.1.1

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3.1.0

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3.0.13

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3.0.12

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3.0.11

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3.0.10

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3.0.9

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3.0.8

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3.0.7

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3.0.6

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3.0.5

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3.0.4

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3.0.3

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3.0.2

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3.0.1

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3.0.0

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2.10.6

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2.10.5

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2.10.4

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2.10.3

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2.10.2

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2.10.1

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2.10.0

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2.9.14

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2.9.13

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2.9.12

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2.9.11

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2.9.10

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2.9.9

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2.9.8

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2.9.7

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2.9.6

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2.9.5

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2.9.4

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2.9.3

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2.9.2

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2.9.1

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2.9.0

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2.8.10

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2.8.9

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2.8.8

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2.8.7

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2.8.6

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2.8.5

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2.8.3

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2.8.2

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2.8.1

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2.8.0

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2.7.9

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2.7.8

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2.7.7

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2.7.6

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2.7.5

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2.7.4

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2.7.3

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2.7.2b

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2.7.1

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2.7.0

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2.6.6

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2.6.5

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2.6.4

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2.6.3

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2.6.2

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2.6.1

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2.5.5

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2.5.4

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2.5.3

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2.5.2

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2.5.1

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2.5.0

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2.4.3

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2.4.2

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2.4.1

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2.4.0

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2.3.2

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2.3.1

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2.3.0

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2.2.6

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2.2.4

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2.2.3

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2.2.2

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2.2.1

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2.2.0

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2.1.2

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2.1.0

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2.0.0

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1.9.0

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1.8.3

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1.8.2

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1.8.0

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1.7.2

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1.7.0

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1.6.0

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1.5.0

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1.2.9

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1.2.8

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1.2.4

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1.2.3

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1.2.2

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1.2.1

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1.2.0

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1.1.2

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1.1.1

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1.1.0

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1.0.5

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1.0.4

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