https://github.com/mpds-io/optimade-mpds-nlp

Free-form search terms translation into the Optimade query language
https://github.com/mpds-io/optimade-mpds-nlp

optimade optimade-api optimade-specification

Last synced: about 13 hours ago
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Free-form search terms translation into the Optimade query language

• Host: GitHub
• URL: https://github.com/mpds-io/optimade-mpds-nlp
• Owner: mpds-io
• License: mit
• Created: 2022-02-11T15:22:23.000Z (over 2 years ago)
• Default Branch: master
• Last Pushed: 2023-09-22T23:06:09.000Z (about 1 year ago)
• Last Synced: 2024-11-02T13:02:29.989Z (4 days ago)
• Topics: optimade, optimade-api, optimade-specification
• Language: JavaScript
• Homepage:
• Size: 62.5 KB
• Stars: 3
• Watchers: 0
• Forks: 0
• Open Issues: 1
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
MPDS-based NLP for Optimade

==========

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This is the early version of the JavaScript utilities for parsing an arbitrary string (ideally, in the natural language) into the [Optimade filter query](https://github.com/Materials-Consortia/OPTIMADE/blob/master/optimade.rst#appendices). An intermediate layer is the MPDS search query object notation, see the [MPDS platform](https://mpds.io) and its [API documentation](https://mpds.io/developer/#Categories).

To see how it works, try to paste an example string

`cubic, disordered perovskites with actinides and chlorine`

into the main search field of the MPDS, and it will be correctly recognized and assigned to the following classes:

```

{

    "elements": "Cl",

    "classes": "disordered, perovskite, actinoid",

    "lattices": "cubic"

}

```

Used by:

- [MPDS GUI](https://github.com/mpds-io/ermac)

- [Optimade.Science](https://github.com/tilde-lab/optimade.science)

- [Project Metis GUI](https://github.com/basf/metis-gui)

- _etc._

## Installation

```sh

npm i optimade-mpds-nlp --save

```

## Usage

The code is fully isomorphic and standalone. The following MPDS categories (out of 15) can be currently detected in a free-form text:

- chemical _formulae_ (standard and anonymous)

- chemical _elements_

- crystalline _lattices_

- physical _properties_ (see [MPDS hierarchy](https://mpds.io/hierarchy))

- materials _classes_ (an umbrella term for [different various classifications](https://mpds.io/tutorial/#Classes))

The algorithm is mostly heuristic, which means it may or may not work for your particular keywords.

One has to import the only class from the module, instantiate, and use the `guess` method:

```

const converter = NLP();

const mpds_query = converter.guess(input_str);

```

The following Optimade query keywords can be currently obtained calling `converter.to_optimade(mpds_query)`:

- `chemical_formula_anonymous`

- `chemical_formula_reduced`

- `elements HAS ALL "..."`

- `nelements=...`

There might be some other MPDS-specific Optimade keywords with the `_mpds_` prefix implemented, being not the part of the Optimade standard though.

## License

MIT © Tilde Materials Informatics and Materials Platform for Data Science