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).

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for janosh from gravatar.com janosh Avatar for mkhorton from gravatar.com mkhorton Avatar for Shyue.Ping.Ong from gravatar.com Shyue.Ping.Ong

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License (MIT)
  • Author: Shyue Ping Ong
  • Tags VASP, gaussian, ABINIT, nwchem, materials, project, electronic, structure, analysis, phase, diagrams
Classifiers

Project description

https://circleci.com/gh/materialsproject/pymatgen.svg?style=shield&circle-token=:circle-token https://ci.appveyor.com/api/projects/status/akdyke5jxg6gps45?svg=true https://anaconda.org/matsci/pymatgen/badges/downloads.svg https://coveralls.io/repos/github/materialsproject/pymatgen/badge.svg?branch=master

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.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for janosh from gravatar.com janosh Avatar for mkhorton from gravatar.com mkhorton Avatar for Shyue.Ping.Ong from gravatar.com Shyue.Ping.Ong

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License (MIT)
  • Author: Shyue Ping Ong
  • Tags VASP, gaussian, ABINIT, nwchem, materials, project, electronic, structure, analysis, phase, diagrams
Classifiers

Release history Release notifications | RSS feed

2024.11.13

2024.10.29

2024.10.27

2024.10.25

2024.10.22

2024.10.3

2024.9.17.1

2024.9.17

2024.9.10

2024.8.9

2024.8.8 yanked

Reason this release was yanked:

Backward incompatible change introduced.

2024.7.18

2024.6.10

2024.6.4

2024.5.31 yanked

2024.5.1

2024.4.13

2024.4.12

2024.3.1

2024.2.23

2024.2.20

2024.2.8

2024.1.27

2024.1.26

2023.12.18

2023.11.12

2023.11.10

2023.10.11

2023.10.4

2023.10.3

2023.9.25

2023.9.10

2023.9.2

2023.8.10

2023.7.20

2023.7.17

2023.7.14

2023.7.11

2023.6.28 yanked

Reason this release was yanked:

Bad release without wheels for some systems.

2023.6.23

2023.5.31

2023.5.10

2023.5.8

2023.3.23

2023.3.10

2023.2.28

2023.2.22

2023.1.30

2023.1.20

2023.1.9

2022.11.7

2022.11.1

2022.10.22

2022.9.21

2022.9.8

2022.8.23

2022.7.25

2022.7.24.1

2022.7.24 yanked

Reason this release was yanked:

remove defunct MPRester2 in favor of more streamlined handling of new and legacy API

2022.7.19

2022.7.8

2022.5.26

2022.5.19

2022.5.18.1

2022.5.18

2022.5.17

2022.4.26

2022.4.19

2022.3.29

2022.3.24

2022.3.22

2022.3.7

2022.2.10

2022.2.7

2022.2.1

2022.1.24

2022.1.20

2022.1.9

2022.1.8

2022.0.17

2022.0.16

2022.0.15

2022.0.14

2022.0.13

2022.0.12

2022.0.11

2022.0.10

2022.0.9

2022.0.8

2022.0.7

2022.0.6

2022.0.5

2022.0.4

2022.0.3

2022.0.2 yanked

Reason this release was yanked:

Buggy version

2022.0.1 yanked

Reason this release was yanked:

Buggy version

2022.0.0 yanked

Reason this release was yanked:

Buggy version

2021.3.9

2021.3.5

2021.3.4 yanked

Reason this release was yanked:

Breaking change in this version. Reverted in 2021.3.5.

2021.3.3

2021.2.16

2021.2.14

2021.2.13

2021.2.8.1

2021.2.8

2020.12.31

2020.12.18

2020.12.3

2020.11.11

2020.10.20

2020.10.9.1

2020.10.9

2020.9.14

2020.8.13

2020.8.3

2020.7.18

2020.7.16

2020.7.14

2020.7.10

2020.7.3

2020.6.8

2020.4.29

2020.4.2

2020.3.13

2020.3.2

2020.1.28

2020.1.10

2019.12.22

2019.12.3

2019.11.11

2019.10.16

2019.10.4

2019.10.3

2019.10.2

2019.9.16

2019.9.12

2019.9.8

2019.9.7

2019.8.23

2019.8.14

2019.7.30

2019.7.21

2019.7.2

2019.6.20

2019.6.5

2019.5.28

2019.5.8

2019.5.1

2019.4.11

2019.3.27

2019.3.13

2019.2.28

2019.2.24

2019.2.4

2019.1.24

2019.1.13

2018.12.12

2018.11.30

2018.11.6

2018.10.18

2018.9.30

2018.9.19

2018.9.12

2018.9.1

2018.8.10

2018.8.7

2018.7.23

2018.7.15

2018.6.27

2018.6.11

2018.5.22

2018.5.21

2018.5.14

2018.5.3

2018.4.20

2018.4.6

2018.3.23

2018.3.14

2018.3.13

2018.3.2

2018.2.13

2018.1.29

2018.1.19

2017.12.30

2017.12.16

2017.12.15

2017.12.8

2017.12.6

2017.11.30

2017.11.27

2017.11.9

2017.11.6

2017.10.16

2017.9.23

2017.9.3

2017.9.1

2017.8.21

2017.8.20

This version

2017.8.16

2017.8.14

2017.8.4

2017.7.21

2017.7.4

2017.6.24

2017.6.22

2017.6.8

4.7.7

4.7.6

4.7.5

4.7.4

4.7.3

4.7.2

4.7.1

4.7.0

4.6.2

4.6.1

4.6.0

4.5.7

4.5.6

4.5.5

4.5.4

4.5.3

4.5.2

4.5.1

4.5.0

4.4.12

4.4.11

4.4.10

4.4.9

4.4.8

4.4.7

4.4.6

4.4.5

4.4.4

4.4.3

4.4.2

4.4.1

4.4.0

4.3.2

4.3.1

4.3.0

4.2.5

4.2.4

4.2.3

4.2.2

4.2.1

4.2.0

4.1.1

4.1.0

4.0.2

4.0.1

4.0.0

3.7.1

3.7.0

3.6.1

3.6.0

3.5.3

3.5.2

3.5.1

3.5.0

3.4.0

3.3.6

3.3.5

3.3.4

3.3.3

3.3.2

3.3.1

3.3.0

3.2.10

3.2.9

3.2.8

3.2.7

3.2.6

3.2.5

3.2.4

3.2.3

3.2.2

3.2.1

3.2.0

3.1.9

3.1.8

3.1.7

3.1.6

3.1.5

3.1.4

3.1.3

3.1.2

3.1.1

3.1.0

3.0.13

3.0.12

3.0.11

3.0.10

3.0.9

3.0.8

3.0.7

3.0.6

3.0.5

3.0.4

3.0.3

3.0.2

3.0.1

3.0.0

2.10.6

2.10.5

2.10.4

2.10.3

2.10.2

2.10.1

2.10.0

2.9.14

2.9.13

2.9.12

2.9.11

2.9.10

2.9.9

2.9.8

2.9.7

2.9.6

2.9.5

2.9.4

2.9.3

2.9.2

2.9.1

2.9.0

2.8.10

2.8.9

2.8.8

2.8.7

2.8.6

2.8.5

2.8.3

2.8.2

2.8.1

2.8.0

2.7.9

2.7.8

2.7.7

2.7.6

2.7.5

2.7.4

2.7.3

2.7.2b pre-release

2.7.1

2.7.0

2.6.6

2.6.5

2.6.4

2.6.3

2.6.2

2.6.1

2.5.5

2.5.4

2.5.3

2.5.2

2.5.1

2.5.0

2.4.3

2.4.2

2.4.1

2.4.0

2.3.2

2.3.1

2.3.0

2.2.6

2.2.4

2.2.3

2.2.2

2.2.1

2.2.0

2.1.2

2.1.0

2.0.0

1.9.0

1.8.3

1.8.2

1.8.0

1.7.2

1.7.0

1.6.0

1.5.0

1.2.9

1.2.8

1.2.4

1.2.3

1.2.2

1.2.1

1.2.0

1.1.2

1.1.1

1.1.0

1.0.5

1.0.4

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

pymatgen-2017.8.16.tar.gz (1.5 MB view details)

Uploaded Source

Built Distributions

pymatgen-2017.8.16-cp36-cp36m-win_amd64.whl (1.9 MB view details)

Uploaded CPython 3.6m Windows x86-64

pymatgen-2017.8.16-cp36-cp36m-macosx_10_7_x86_64.whl (1.9 MB view details)

Uploaded CPython 3.6m macOS 10.7+ x86-64

pymatgen-2017.8.16-cp35-cp35m-macosx_10_9_x86_64.whl (1.9 MB view details)

Uploaded CPython 3.5m macOS 10.9+ x86-64

pymatgen-2017.8.16-cp27-cp27m-macosx_10_7_x86_64.whl (1.9 MB view details)

Uploaded CPython 2.7m macOS 10.7+ x86-64

File details

Details for the file pymatgen-2017.8.16.tar.gz.

File metadata

File hashes

Hashes for pymatgen-2017.8.16.tar.gz
Algorithm Hash digest
SHA256 2de6345533f0acdf68f7f98c329f037f471848a1333cbe6d0cae82b6f0387f58
MD5 4fd78c5654fa7afe253a2cd6a27e8b14
BLAKE2b-256 ad3ed0026845e9afadc9040d14f32591d1367c1e3b27e48199fa25361bd1bf06

See more details on using hashes here.

File details

Details for the file pymatgen-2017.8.16-cp36-cp36m-win_amd64.whl.

File metadata

File hashes

Hashes for pymatgen-2017.8.16-cp36-cp36m-win_amd64.whl
Algorithm Hash digest
SHA256 4e6bed179e4be3bbc8b7490281392d0a5d4b8483ef8f12ed71657bbffcd3c238
MD5 21de544599517bfccbcdfda5b7c742a0
BLAKE2b-256 49fb1bb30cfe948ae68e39fa929e8ef541d16e311a38826a290eaba204000393

See more details on using hashes here.

File details

Details for the file pymatgen-2017.8.16-cp36-cp36m-macosx_10_7_x86_64.whl.

File metadata

File hashes

Hashes for pymatgen-2017.8.16-cp36-cp36m-macosx_10_7_x86_64.whl
Algorithm Hash digest
SHA256 3105c57c63d2f46a29bd23f60bcfaf4fc4c3b3e4e7332dd5a466b15a161c8c69
MD5 064e551f6a110409e54e94551e6db485
BLAKE2b-256 439d67e14dc6d4e231f6ee254ec325fafcb68b8505876422befa28af319d02da

See more details on using hashes here.

File details

Details for the file pymatgen-2017.8.16-cp35-cp35m-macosx_10_9_x86_64.whl.

File metadata

File hashes

Hashes for pymatgen-2017.8.16-cp35-cp35m-macosx_10_9_x86_64.whl
Algorithm Hash digest
SHA256 3a89943e89f16e8dcaf0d008133f064eea8f94a5a6f4bf4b90d6107c724eddd8
MD5 e923751be6f9784474a5a5a3df25e8b5
BLAKE2b-256 111cada6562ca552c6e6183cee9799e7957c92b95849e3788a9b5b207fabc567

See more details on using hashes here.

File details

Details for the file pymatgen-2017.8.16-cp27-cp27m-macosx_10_7_x86_64.whl.

File metadata

File hashes

Hashes for pymatgen-2017.8.16-cp27-cp27m-macosx_10_7_x86_64.whl
Algorithm Hash digest
SHA256 6d10cc37b5d4c6aac2b4a0c2fb4245c4065f5135b0f995d3f26b14a2eebf9684
MD5 92ff58e2dc837db775b0149137627d66
BLAKE2b-256 0b8d585992cae126467eab89c96e5d01371224b62d2483ae757de25368596b65

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page