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haeussma committed Feb 14, 2024
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25 changes: 25 additions & 0 deletions .github/workflows/documentation.yml
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name: Deploy Documentation

on:
push:
branches:
- master
- main

permissions:
contents: write

jobs:
deploy:
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- uses: actions/setup-python@v4
with:
python-version: 3.x
- uses: actions/cache@v2
with:
path: .cache
key: ${{ github.ref }}
- run: pip install mkdocs-material
- run: mkdocs gh-deploy --force
20 changes: 20 additions & 0 deletions docs/index.md
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# EnzymeML Training Course

## ℹ️ About
The EnzymeML Training Course is a collaborative project between multiple biocatalysis groups. The aim of this project is to jointly develop computational tools, data standards, and best practices for the analysis of enzyme-catalyzed reactions. Furthermore, the project provides training for Python-based data analysis of experimental data.

## 🚀 Motivation
Current state of data analysis and implications on reproducibility and scalability...

## 📚 Stages
The project is structured into three stages, dividing the task of implementing generic analysis workflows for biocatalytic data:

### 1. 🛠️ Making experimental data accessible
Development of generic Python tools, allowing reading in unprocessed data from various analytical sources such as spectrophotomety, chromatograph, or NMR. The tools facilitate the preprocessing of the data, concentration calculation, and the generation of EnzymeML files.

### 2. 📈 Data Analysis
Depending on the needs of the project members, existing Python tools will be used or extended to analyze the data. Experimental questions
Development of Python-based tools for the analysis of enzyme-catalyzed reactions.

### 3. 🤝 In-person Training Course
Development of training materials for the use of the data standard and the Python-based tools.
3 changes: 3 additions & 0 deletions docs/installation.md
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# Installation of tools

For the installation of the tools, we recommend using the following Docker image, which contains all the necessary tools and dependencies. The Docker image is based on the official Python image and comes with installs JupyterLab locally in your machine:
9 changes: 9 additions & 0 deletions docs/status.md
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# Project Status

## Implemented Spectrophotometers
- [x] SpectraMax M2
- [x] Magellan
- [ ] Infinite M200

## Implemented Chromatography Systems
- [ ] Agilent 1100
50 changes: 50 additions & 0 deletions mkdocs.yml
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site_name: EnzymeML Training Course

nav:
- Home: index.md
- Project Status: status.md
- Installation: installation.md

theme:
name: material
features:
- navigation.tabs
- navigation.sections
- toc.integrate
- navigation.top
- search.suggest
- search.highlight
- content.tabs.links
- content.code.select
- content.code.copy
- content.code.annotation
palette:
# Palette toggle for light mode
- scheme: default
toggle:
icon: material/brightness-7
name: Switch to dark mode

# Palette toggle for dark mode
- scheme: slate
toggle:
icon: material/brightness-4
name: Switch to light mode


markdown_extensions:
- pymdownx.highlight:
anchor_linenums: true
line_spans: __span
pygments_lang_class: true
- pymdownx.inlinehilite
- pymdownx.snippets
- pymdownx.superfences
- tables
- attr_list
- pymdownx.emoji:
emoji_index: !!python/name:material.extensions.emoji.twemoji
emoji_generator: !!python/name:material.extensions.emoji.to_svg
- def_list
- pymdownx.tasklist:
custom_checkbox: true
3 changes: 3 additions & 0 deletions requirements.txt
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mkdocs==1.5.3
mkdocs-material==9.5.9
mkdocs-material-extensions==1.3.1

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