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1

SASHIMI

The Sashimi project hosts the Trans-Proteomic Pipeline (TPP), a mature suite of tools for mass-spec (MS, MS/MS) based proteomics: statistical validation, quantitation, visualization, and converters from raw MS data to the open mzML/mzXML formats.

Downloads: 23 This Week

Last Update: 2026-04-18
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2

AMBIT:Chemical Structure DB&Web Service

Chemical structures database & machine learning with web services API

...Flexible structure, similarity and study queries storage, descriptor calculation and predictive models building via REST web services.User interface for creating read across assessment and generating reports, aligned with regulatory and industrial requirements. Command line applications also available. Integration with third party tools and databases.

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Downloads: 11 This Week

Last Update: 2026-01-19
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3

GNNPCSAFT Chat

Chatbot with GNNPCSAFT

...We developed this app so the scientific community can access the model's results easily. In this app, you can chat with LLM models (Gemini or Ollama) with GNNPCSAFT tools, allowing you to ask questions about the PC-SAFT parameters of various compounds, predict thermodynamic properties, and get insights into the GNNPCSAFT's performance.

Downloads: 0 This Week

Last Update: 2026-04-29
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4

goldify

Goldify is a set of tools that allow automated addition of links into electronic documents. Its main purpose is to allow such addition of links into documents that wish to link to the IUPAC GoldBook (http://goldbook.iupac.org).

Downloads: 0 This Week

Last Update: 2013-05-14
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