Citrine

Latest version: v3.2.4

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0.26.0

Not secure
What’s New
* We now have a formulation descriptor and two formulations-related predictors (https://github.com/CitrineInformatics/citrine-python/pull/324)
* LabelFractionsPredictor will compute total fraction of all inputs with a particular label (https://github.com/CitrineInformatics/citrine-python/pull/332)
* SimpleMixturePredictor will provide features based upon fraction-weighted averaging of mixture components (https://github.com/CitrineInformatics/citrine-python/pull/333)
* Data Sources now have the concept of an identifier, or a column that contains values that reference another row of the table
* Supporting Molecular Structure value types, we now support Ara Columns for SMILES or InChI representations of those structures
* Retrieving the responses of a predictors from the Citrine platform (https://github.com/CitrineInformatics/citrine-python/pull/331)

Improvements
* More documentation. Specifically, we've added descriptions of how to build data sources and predictors for mixtures
* And, of course, it all get unit tests.

0.20.0

Not secure
What’s New
* Added a molecular structure featurizer (https://github.com/CitrineInformatics/citrine-python/pull/321)
* Update requirements so that GEMD libraries will support molecular structures

Improvements
* Documentation was added around `ProductDesignSpace` objects (https://github.com/CitrineInformatics/citrine-python/pull/313)
* `TableCollection.read` was updated to allow retrieval through ids instead of just Table objects (https://github.com/CitrineInformatics/citrine-python/pull/317)
* Improved pagination behavior (https://github.com/CitrineInformatics/citrine-python/pull/323)
* Add structure to the predictor report by creating a `PredictorReport` object (https://github.com/CitrineInformatics/citrine-python/pull/319)

Fixes
* Gracefully handle multiple descriptors in a predictor report that have the same key(https://github.com/CitrineInformatics/citrine-python/pull/325, https://github.com/CitrineInformatics/citrine-python/pull/326, https://github.com/CitrineInformatics/citrine-python/pull/329)
* Various additional bug fixes (https://github.com/CitrineInformatics/citrine-python/pull/322)

0.17.4

Not secure
What’s New
* Several list-by and get-by methods have been added to support traversals through networks of GEMD objects (https://github.com/CitrineInformatics/citrine-python/pull/306)
* A `.name` alias for `FileLink.filename` for consistency with other resources (https://github.com/CitrineInformatics/citrine-python/pull/311)

Improvements
* This package is now tested against python 3.5, 3.6, 3.7 and 3.8 (https://github.com/CitrineInformatics/citrine-python/pull/314)
* Documentation for the restricted set of expression operators (https://github.com/CitrineInformatics/citrine-python/pull/312)
* Documentation of the GEMD validation methods (https://github.com/CitrineInformatics/citrine-python/pull/308)

0.16.8

Not secure
What’s New
* The Citrine Python module has been migrated to take advantage of the GEMD libraries
* https://github.com/CitrineInformatics/gemd-python/
* https://pypi.org/project/gemd/

Improvements
* Now, when the `register_all` method is used on a set of objects, the method will add the Citrine ID of the newly registered object to the objects that were passed. This means that if objects are linked directly (as opposed to link_by_UID), the next object will correctly include its new identifier.

Fixes
* The normal corrections to documentation and augmentation of testing are here as well

Deprecated
* `Table.read` from `citrine.resources.table` is deprecated in favor of `TableCollection.read` from the same module

0.15.7

Whats new?

- Ability to list all versions of a table. (289)

Improvements

- The `InorganicDescriptor` is deprecated in favor of the more aptly named `ChemicalFormulaDescriptor`. (288)
- More customizable pagination interface. (289)

Fixes

- The scores "LI" and "EI" are now always referred to by their correct names in variable names and in docstrings. (281)
- `filter_by_template` and `filter_by_spec` are documented more fully. (292)

0.15.1

Not secure
Citrine v0.15.1 is released! This release patches a deserialization issue in the most recent release and introduces a new seeding utility.

Whats new?

- A seeding utility that separates templates from other data objects (285)

Fixes

- Include `EVScore` in the dictionary of known `Score` types, allowing them to be deserialized (287)

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