wfondrie / 2023_asms-depthcharge

Notebooks to accompany my ASMS poster on Depthcharge

Depthcharge Application Examples

These are the notebooks and analyses that accompany my ASMS poster.

Run these depthcharge example notebooks on Google Colab:

Predicting ion mobility from peptide sequence and charge state

Predicting peptide fragment ion intensities

Embedding mass spectra and peptides

Project Organization

├── Makefile            <- Makefile with commands reproduce the figures.
├── README.md           <- Basic information about this project.
├── data                <- Data either from the original source or from Colab notebooks.
├── notebooks           <- Jupyter notebooks for making poster figures.
├── colab               <- Deep learning Jupyter notebooks run on Google Colab.
├── environment.yml     <- Specifies the dependencies to build a conda environment.
│                          Create the environment with `make env && conda activate ./envs`
├── pyproject.toml      <- Specifies Python configuration for our local Python package.
└── src                 <- Source code for the local Python package to use in this project.
    └── __init__.py     <- Makes src a Python module

This project is based on the Talus Cookiecutter Data Science Template