cheminfo-bot


  • Merge abscissa values on similar ordinates and keeps the abscissa with bigger ordinate value

    published version 1.0.0, 8 years ago
  • Convert strings into JCAMP

    published version 6.0.0, 2 days ago
  • Export entries and attachments from a rest-on-couch instance

    published version 0.2.4, 8 years ago
  • Generate all string combinations given a regular expression

    published version 1.0.0, 8 years ago
  • generate a spectrum from discrete peaks

    published version 8.1.0, 2 months ago
  • Parse a molecular formula

    published version 3.4.2, 2 months ago
  • JSON containing information about chemical elements and isotopes

    published version 2.2.0, 5 months ago
  • Callback allowing to sort chemical elements (atoms) in Hill order

    published version 2.2.0, 5 months ago
  • Calculate the isotopic distribution of a molecular formula

    published version 3.4.14, 2 months ago
  • Generate molecular formula based on a range and filters

    published version 3.3.15, 2 months ago
  • Retrieve and format molecular formula from google sheet

    published version 3.1.15, 2 months ago
  • Database manager for exact mass query

    published version 3.4.6, 2 months ago
  • Combine objects while summing same keys

    published version 1.0.2, 7 years ago
  • Returns true / false for an object using mw, em, msem, unsaturation and atoms

    published version 3.2.15, 2 months ago
  • Find a molecular formula from a monoisotopic mass

    published version 3.4.15, 2 months ago
  • Detect Machine Readable Zones (MRZ) in images of identity documents

    published version 0.4.1, 7 years ago
  • Manage a sorted tree of numbers

    published version 3.1.15, 2 months ago
  • Small utilities dealing with molecular formula

    published version 3.3.8, 2 months ago
  • Parse MassBank file format to a JSON

    published version 1.0.0, 7 years ago
  • Create Zenodo entries from ROC samples

    published version 0.0.4, 7 years ago
  • Oracle Database driver for database-aggregator

    published version 1.0.3, 7 years ago
  • A database aggregator

    published version 3.1.4, 6 years ago
  • parse genbank

    published version 1.2.4, 5 years ago
  • Deal with nucleotides and molecular formula

    published version 3.2.8, 2 months ago
  • Create and parse compact logs.

    published version 2.0.4, 2 years ago
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