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(docs) updated News section of README and the documentation page
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amkrajewski authored Apr 4, 2024
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16 changes: 8 additions & 8 deletions README.md
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Expand Up @@ -40,20 +40,20 @@ A more complete (and verbose) description of capabilities is
given in documentation at [(pysipfenn.org)](https://pysipfenn.org). You may also consider visiting our
Phases Research Lab website at [(phaseslab.org)](https://phaseslab.org).

### Major News:
### Recent News:

- **(v0.15.0)** A new descriptor (feature vector) calculator [**`descriptorDefinitions.KS2022_randomSolutions`**](https://github.com/PhasesResearchLab/pySIPFENN/blob/main/pysipfenn/descriptorDefinitions/KS2022_randomSolutions.py) has been implemented. It is used for structure informed featurization of compositions randomly occupying a lattice, spiritually similar to SQS generation, but also taking into account (1) chemical differences between elements and (2) structural effects. A full description will be given in the upcoming manuscript.
- **(v0.16.0)** Three exciting news! (1) The all new [`ModelAdjusters`](https://github.com/PhasesResearchLab/pySIPFENN/blob/main/pysipfenn/core/modelAdjusters.py) submodule automates tuning and can fetch data directly from [`OPTIMADE API`](https://www.optimade.org); (2) A new manuscript detailing advantages of our featurization tools has been put on [arXiv:2404.02849](https://arxiv.org/abs/2404.02849); and (3) the name of the software was updated to **py**thon toolset for **S**tructure-**I**nformed **P**roperty and **F**eature **E**ngineering with **N**eural **N**etworks to retain the `pySIPFENN` acronym but better reflect our strengths and development direction.

- **(v0.14.0)** Users can now take advantage of a **Prototype Library** to obtain common structures from any `Calculator` instance `c` with a simple `c.prototypeLibrary['BCC']['structure']`. It can be easily [updated](https://pysipfenn.readthedocs.io/en/latest/source/pysipfenn.core.html#pysipfenn.Calculator.parsePrototypeLibrary) or [appended](https://pysipfenn.readthedocs.io/en/latest/source/pysipfenn.core.html#pysipfenn.Calculator.appendPrototypeLibrary) with high-level API or by manually modifyig its YAML [here](https://github.com/PhasesResearchLab/pySIPFENN/blob/main/pysipfenn/misc/prototypeLibrary.yaml).
- **(v0.15.0)** A new descriptor (feature vector) calculator [**`KS2022_randomSolutions`**](https://github.com/PhasesResearchLab/pySIPFENN/blob/main/pysipfenn/descriptorDefinitions/KS2022_randomSolutions.py) has been implemented. It is used for structure-informed featurization of compositions randomly occupying a lattice, spiritually similar to SQS generation, but also taking into account (1) chemical differences between elements and (2) structural effects.

- **(v0.14.0)** Users can now take advantage of a **Prototype Library** to obtain common structures from any `Calculator` instance with `c.prototypeLibrary[<name>]['structure']`. It can be easily [updated](https://pysipfenn.readthedocs.io/en/latest/source/pysipfenn.core.html#pysipfenn.Calculator.parsePrototypeLibrary) or [appended](https://pysipfenn.readthedocs.io/en/latest/source/pysipfenn.core.html#pysipfenn.Calculator.appendPrototypeLibrary) with high-level API or by manually modifyig its YAML [here](https://github.com/PhasesResearchLab/pySIPFENN/blob/main/pysipfenn/misc/prototypeLibrary.yaml).

- **(v0.13.0)** Model exports (and more!) to PyTorch, CoreML, and ONNX are now effortless thanks to [**`core.modelExporters`**](https://github.com/PhasesResearchLab/pySIPFENN/blob/main/pysipfenn/core/modelExporters.py) module. Please note you need to install pySIPFENN with `dev` option (e.g., `pip install "pysipfenn[dev]"`) to use it. See [docs here](https://pysipfenn.readthedocs.io/en/stable/source/pysipfenn.core.html#module-pysipfenn.core.modelExporters).

- **(v0.12.2)** Swith to LGPLv3 allowing for integration with proprietary software developed by CALPHAD community, while supporting the development of new pySIPFENN features for all. Many thanks to our colleagues from
[GTT-Technologies](https://gtt-technologies.de) and other participants of [CALPHAD 2023](https://calphad.org/calphad-2023) for fruitful discussions.
- **(v0.12.2)** Swith to LGPLv3 allowing for integration with proprietary software developed by CALPHAD community, while supporting the development of new pySIPFENN features for all.

- **(March 2023 Workshop)** We would like to thank all of our amazing attendees for making our workshop, co-organized with the
[Materials Genome Foundation](https://materialsgenomefoundation.org), such a success! Over 100 of you simultaneously followed
all exercises and, at the peak, we loaded over 1,200GB of models into the HPC's RAM.
- **(March 2023 Workshop)** We would like to thank all 100 of our amazing attendees for making our workshop, co-organized with the
[Materials Genome Foundation](https://materialsgenomefoundation.org).

### Main Schematic

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7 changes: 7 additions & 0 deletions docs/index.rst
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Expand Up @@ -114,6 +114,13 @@ Phases Research Lab website at `(phaseslab.org) <https://phaseslab.org>`_.
News
----

- **(v0.16.0)** Three exciting news! (1) The all new ```ModelAdjusters`` submodule automates tuning and can fetch
data directly from ``OPTIMADE API`` (https://www.optimade.org); (2) A new manuscript detailing advantages of our
featurization tools has been put on `arXiv:2404.02849 <https://arxiv.org/abs/2404.02849>`_; and (3) the name of
the software was updated to
`python toolset for Structure-Informed Property and Feature Engineering with Neural Networks`` to retain the
``pySIPFENN`` acronym but better reflect our strengths and development direction.

- **(v0.15.0)** A new descriptor (feature vector) calculator ``descriptorDefinitions.KS2022_randomSolutions`` has been implemented. It is used
for structure informed featurization of compositions randomly occupying a lattice, spiritually similar to SQS generation, but also taking into
account (1) chemical differences between elements and (2) structural effects. A full description will be given in the upcoming manuscript.
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