Browsing by Autor "cheminfo-bot"

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    cheminfo/cheminfo-types: v1.10.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Kevin Maik Jablonka; Jose Alejandro Bolanos Arroyave; santi; Océane Patiny
    1.10.0 (2026-01-09) Features add DoubleMatrix (0205546)
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    cheminfo/cheminfo-types: v1.9.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Kevin Maik Jablonka; Jose Alejandro Bolanos Arroyave; santi; Océane Patiny
    1.9.0 (2026-01-09) Features add DataXMatrix and DataXReIm (7efa916)
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    cheminfo/nmr-metadata: v4.0.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; Michaël Zasso; cheminfo-bot; Andres Castillo; Jose Alejandro Bolanos Arroyave
    4.0.0 (2026-03-06) ⚠ BREAKING CHANGES update code and migrate to type=module Features catch error if date can not be parsed (ab24e45) update code and migrate to type=module (afab015)
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    cheminfo/nmr-metadata: v4.0.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; Michaël Zasso; cheminfo-bot; Andres Castillo; Jose Alejandro Bolanos Arroyave
    4.0.0 (2026-03-06) ⚠ BREAKING CHANGES update code and migrate to type=module Features catch error if date can not be parsed (ab24e45) update code and migrate to type=module (afab015)
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    cheminfo/openchemlib-utils: v8.10.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; santi
    8.10.0 (2026-01-14) Features add new method autoLabel (d03deea) expose autoLabelDatabase (bfb1767)
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    cheminfo/openchemlib-utils: v8.11.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; santi
    8.11.0 (2026-01-15) Features add coordinates in autoLabelDatabase (39504c5)
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    cheminfo/openchemlib-utils: v8.12.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; santi
    8.12.0 (2026-01-15) Features add more templates (24ef70d)
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    cheminfo/openchemlib-utils: v8.12.1
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; santi
    8.12.1 (2026-01-16) Bug Fixes use standard ASCII in autoLabel database (712f966)
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    cheminfo/openchemlib-utils: v8.13.0
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; santi
    8.13.0 (2026-02-16) Features add molecule templates (9479e34) Bug Fixes update dependencies (#215) (bd1309a)
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    cheminfo/openchemlib-utils: v8.13.3
    (European Organization for Nuclear Research, 2026) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; santi
    8.13.3 (2026-03-11) Bug Fixes autoLabelDatabase and UTF8 labels (de9a78d)
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    cheminfo/openchemlib-utils: v8.8.0
    (European Organization for Nuclear Research, 2025) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; newresu
    8.8.0 (2025-11-04) Features groupedDiaID have new customLabels properties (200a3b5)
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    cheminfo/openchemlib-utils: v8.8.1
    (European Organization for Nuclear Research, 2025) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; newresu
    8.8.1 (2025-11-06) Bug Fixes getDiaIDsObject remove superscript of atomCustomLabels if needed (5783726)
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    cheminfo/openchemlib-utils: v8.9.0
    (European Organization for Nuclear Research, 2025) Luc Patiny; cheminfo-bot; Michaël Zasso; Ricardo Silvestre; Jose Alejandro Bolanos Arroyave; Andres Castillo; newresu
    8.9.0 (2025-12-10) Features allow prefix and suffix in applyFragmentLabels (94a9630)
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    mljs/global-spectral-deconvolution: v13.1.1
    (European Organization for Nuclear Research, 2025) Luc Patiny; mljs-bot; Jose Alejandro Bolanos Arroyave; Andres Castillo; Miguel Angel Asencio Hurtado; cheminfo-bot; Michaël Zasso; Kevin M Jablonka; Wadjih Bencheikh; tpoisseau
    13.1.1 (2025-11-19) Bug Fixes first derivative algorithm to detect peaks (#135) (05b0925)