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@NanoBiostructuresRG-lab

Nano]°[Biostructures Research Group

Nano and Biostructures Research Group · Institute for Obesity Research · Tecnológico de Monterrey
README.md

Nano]°[Biostructures Research Group

Part of the Unit of Experimental Medicine and Molecular Biology within the Institute for Obesity Research at Tecnológico de Monterrey.

This site showcases the computational projects and tools developed by our group for data-driven molecular discovery for metabolic disorders.

What we do

We develop open-source computational tools and curated molecular datasets to support research on obesity and metabolic diseases. Our work spans molecular curation, chemical space analysis, binary classification, and structure-based approaches.

Our tools

Repository Description
spaa Scientific proposal abstract validator
melite Benchmarking suite for binary classification
chamanp Molecular database preparation
molraptor Molecular data curation and fingerprint encoding
harmonsmile SMILES alignment to RDKit convention

Contact

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  1. chemvault chemvault Public

    CHEMVAULT is a cheminformatics application for building target-centered molecular bioactivity datasets from PubChem. Retrieved records, the curation rules applied to them, and the reason for each e…

    Python 2

  2. .github .github Public

Repositories

Showing 2 of 2 repositories
  • chemvault Public

    CHEMVAULT is a cheminformatics application for building target-centered molecular bioactivity datasets from PubChem. Retrieved records, the curation rules applied to them, and the reason for each exclusion are kept in a local SQLite database from which datasets are derived.

    NanoBiostructuresRG-lab/chemvault's past year of commit activity
    Python 2 0 0 0 Updated Sep 25, 2026
  • .github Public
    NanoBiostructuresRG-lab/.github's past year of commit activity
    0 0 0 0 Updated Jun 12, 2026

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