Run the oximachine

Navigation

Verified details

These details have been verified by PyPI
Maintainers
Avatar for kjappelbaum from gravatar.com kjappelbaum

Unverified details

These details have not been verified by PyPI
Project links
GitHub Statistics

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

Meta

License: GNU General Public License v3 (GPLv3) (GPL)

Author: Kevin M. Jablonka, Daniele Ongari, Mohamad Moosavi, Berend Smit

Requires: Python >=3.6.0, <3.8.0

Classifiers

Project description

oximachinerunner

Actions Status

oximachine for AiiDA lab: Core functionalities of oximachine with stripped dependencies.

Warning: This model works excellent on a test set but it might give fully unphysical predictions in some cases when it is used outside the domain of applicability (structures similar to the ones in the MOF subset of the CSD). This is currently estimated with an uncertainty vote. Consider it in alpha phase

assets

  • votingclassifier.joblib is the model that is currently deployed. It is a voting classifier with four different base estimators
  • scaler.joblib is the standard scaler
  • KAJZIH_freeONLY.cif and ACODAA.cif are some test structures.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for kjappelbaum from gravatar.com kjappelbaum

Unverified details

These details have not been verified by PyPI
Project links
GitHub Statistics

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

Meta

License: GNU General Public License v3 (GPLv3) (GPL)

Author: Kevin M. Jablonka, Daniele Ongari, Mohamad Moosavi, Berend Smit

Requires: Python >=3.6.0, <3.8.0

Classifiers

Release history Release notifications | RSS feed

1.4.0

1.3.0

1.2.0

1.1.3

1.1.2

1.1.0

1.0.2

0.2.5

This version

0.2.1

0.2a0 pre-release

0.1a0 pre-release

Download files

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

Source Distribution

oximachinerunner-0.2.1.tar.gz (35.1 MB view hashes)

Uploaded Source

Built Distribution

oximachinerunner-0.2.1-py3-none-any.whl (35.2 MB view hashes)

Uploaded Python 3

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