Skip to main content

Plugins to enable common scientific and machine learning type to be saved by mincePy

Project description

Coverage Travis CI Latest Version https://img.shields.io/pypi/pyversions/mincepy-sci.svg https://img.shields.io/pypi/l/mincepy-sci.svg

mincePy: move the database to one side and let your objects take centre stage.

MincePy Sci is a set of plugins for mincePy that enable common scientific data formats to be saved.

See mincepy documentation for more information.

This plugin provide support for:

ase:
  • Atoms

  • Cell

numpy:
  • ndarray

pandas:
  • DataFrame

plams:
  • Settings

  • Molecule

  • Results

pyilt2:
  • dataset

(unfortunately the pypi version is out of date and so you should use an updated version from here).

pymatgen:
  • Structure

  • BandStructure

  • CompleteDos

  • PeriodicSite

rdkit:
  • Mol

Contributing

We’d love to get more data types supported by mincePy! For now, the easiest way is to follow the examples set by the existing types and contribute a PR. If you’d like more (i.e. any) documentation on how to do this or would like to request that someone with more expertise makes a plugin just create an issue and we’ll see what we can do.

Project details


Download files

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

Source Distribution

mincepy_sci-0.1.4.tar.gz (140.1 kB view details)

Uploaded Source

Built Distribution

mincepy_sci-0.1.4-py2.py3-none-any.whl (12.7 kB view details)

Uploaded Python 2 Python 3

File details

Details for the file mincepy_sci-0.1.4.tar.gz.

File metadata

  • Download URL: mincepy_sci-0.1.4.tar.gz
  • Upload date:
  • Size: 140.1 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.4.1 importlib_metadata/4.6.1 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.61.2 CPython/3.8.10

File hashes

Hashes for mincepy_sci-0.1.4.tar.gz
Algorithm Hash digest
SHA256 ab08483e3edd2a7a4e980d124b1010375a5073215446aad4fb779809b27b6c90
MD5 50a568b1972deeaa8a14cf8aa5a9da2c
BLAKE2b-256 79af35d9712e3f2b60b1ee18c0704d849ff86af96364203bcb1c1d52534437e9

See more details on using hashes here.

File details

Details for the file mincepy_sci-0.1.4-py2.py3-none-any.whl.

File metadata

  • Download URL: mincepy_sci-0.1.4-py2.py3-none-any.whl
  • Upload date:
  • Size: 12.7 kB
  • Tags: Python 2, Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.4.1 importlib_metadata/4.6.1 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.61.2 CPython/3.8.10

File hashes

Hashes for mincepy_sci-0.1.4-py2.py3-none-any.whl
Algorithm Hash digest
SHA256 7afe510d6851db2c87b599ac2dce6f8dd8fd67015e162053a28b079996e1d2c8
MD5 a10ff11e392d085e67bee90f6442e6fb
BLAKE2b-256 70ebb40be7cb0296a7e9f2a52b2d4e36f01de84042eb9ce9f588fc19631dce39

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