@datagrok/helm 2.1.5 → 2.1.7
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/README.md +13 -10
- package/dist/package-test.js +2 -735
- package/dist/package-test.js.map +1 -0
- package/dist/package.js +2 -2498
- package/dist/package.js.map +1 -0
- package/package.json +3 -3
- package/src/package.ts +32 -65
- package/tsconfig.json +1 -1
- package/webpack.config.js +1 -1
package/README.md
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# HELM
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Provides support for [HELM notation](https://pistoiaalliance.atlassian.net/wiki/spaces/HELM/overview)
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Provides support for [HELM notation](https://pistoiaalliance.atlassian.net/wiki/spaces/HELM/overview)
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(Hierarchical Editing Language for Macromolecules) -
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a single notation that can encode the structure of complex biomolecules including diverse polymers,
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a single notation that can encode the structure of complex biomolecules including diverse polymers,
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non-natural monomers and complex attachment points.
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[Andrew Skalkin](https://github.com/skalkin) |
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[Andrew Skalkin](https://github.com/skalkin) |
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[issue tracker](https://github.com/datagrok-ai/public/issues/700) | beta
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## Features
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### Features
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* Automatic detection of HELM values in datasets
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* Rendering in the spreadsheet
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* Editing
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* Calculators (mol weight, mol formula, extinction coefficient, )
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* Data augmentation (show relevant information in the context panel)
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## Advanced features
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* Integration with the [HELM2WebService](https://github.com/PistoiaHELM/HELM2WebService) (calculations, images, etc)
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* Support for company-specific monomer libraries
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* Management tool for monomer libraries (integrated with the security and privileges)
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* HELM space (UMAP or t-SNE based on the distance)
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* Activity cliffs analysis (based on the HELM space)
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Kudos to Pistoia alliance for open-sourcing the [HELM Web Editor](https://github.com/PistoiaHELM/HELMWebEditor)
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that is used in this integration.
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Kudos to Pistoia alliance for open-sourcing the [HELM Web Editor](https://github.com/PistoiaHELM/HELMWebEditor)
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that is used in this integration.
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See also:
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* https://
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* <https://pistoiaalliance.atlassian.net/wiki/spaces/HELM/overview>
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* <https://github.com/PistoiaHELM/HELMWebEditor>
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