Owner

uibcdf

13 indexed repositories · View on GitHub

• action-build-and-upload-conda-packages

  GitHub Action: new conda packages are built and uploaded to Anaconda when a new released or pre-released version is declared.

  Python · 24 stars

• action-sphinx-docs-to-gh-pages

  GitHub Action: The sphinx documentation in a repository is compiled and deployed to GitHub Pages through the gh-pages branch.

  17 stars

• molsysmt

  Open source library to work with molecular systems

  Python · 14 stars

• elastnetmt

  Open source library to work with elastic network models

  Jupyter Notebook · 4 stars

• pyunitwizard

  Assistant to work with physical quantities, units, and python libraries such as Pint, openmm.unit or unyt.

  Python · 3 stars

• gh-run-receptor

  A GitHub Actions evidence receptor for coding agents: compact reports without hiding failures or uncertainty

  Python · 1 star

• argdigest

  The lightweight, extensible toolkit to audit, coerce and validate function arguments across scientific libraries.

  Python · 0 stars

• depdigest

  Digesting dependencies into clear, actionable insight.

  Python · 0 stars

• molsysviewer

  A Mol*-powered 3D viewer for molecular systems, integrated naturally within the MolSysSuite ecosystem.

  Python · 0 stars

• pharmacophoremt

  A Pharmacophore MultiToolkit designed to simplify and streamline the detection, generation, analysis, comparison, and application of phar...

  Jupyter Notebook · 0 stars

• smonitor

  Precision diagnostics for scientific Python ecosystems

  Python · 0 stars

• topomt

  A Molecular Topography MultiToolkit designed to simplify and streamline the detection, analysis, and characterization of protein pockets,...

  Jupyter Notebook · 0 stars

• molsyssuite

  MolSysSuite

  Python · 0 stars