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6 changes: 6 additions & 0 deletions .gitignore
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# generic ignores
*.Rhistory
*.RData
*.Rproj.user
.ipynb_checkpoints
.vscode
exercises/*
templates/*.html
templates/*_files

# pixi environments
.pixi/*
!.pixi/config.toml
21 changes: 21 additions & 0 deletions LICENSE
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MIT License

Copyright (c) 2026 Max Planck Unit for the Science of Pathogens

Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.
50 changes: 39 additions & 11 deletions README.md
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Expand Up @@ -6,19 +6,45 @@ This Github repository contains all course materials. Issues can be reported [he

For comments, criticism, and general feedback please contact the [authors](#authors) at bioinformatics@mpusp.mpg.de

## Course materials and structure
## Course materials

### Sources and license

The course materials are a blend of own works and code examples from Justin Bois' [Introduction to Programming in the Biological Sciences Bootcamp](https://justinbois.github.io/bootcamp/2024/). The code examples from the Bootcamp course are released with the [MIT License](https://opensource.org/license/mit).

All other code examples and documentation added by the [authors](#authors) is also released under the [MIT License](https://opensource.org/license/mit), except where explicitly noted.

All example datasets are taken from published sources which are referenced in [Data sources](#data-sources).
These datasets are **not covered by the MIT License**, but are licensed under their respective terms.

### Dependencies

In order to work with the course materials, you need to have [Python](https://www.python.org/downloads/), [R](https://cran.r-project.org/mirrors.html), and optionally [Quarto](https://quarto.org/docs/get-started/) (a notebook framework) installed.

With [`pixi`](https://pixi.prefix.dev) as package manager (recommended), you can create an environment with the required dependencies by running:

```bash
pixi init
pixi add python pandas matplotlib jupyter r-tidyverse r-irkernel
```

Or simply use the provided `pixi.toml` file to activate the environment:

```bash
pixi shell
```

With conda/mamba, you can create an environment with all dependencies by running:

```bash
mamba create -p <dirname>/python-course python pandas matplotlib jupyter quarto r-recommended r-tidyverse r-reticulate
mamba create -p <dirname>/python-course python pandas matplotlib jupyter r-tidyverse r-irkernel
mamba activate python-course
```

When using Jupyter Notebooks (in VSCode), make sure to select the correct kernel (Python or R) for each notebook.

The R kernel for Jupyter is installed with the `r-irkernel` package, a detailed setup for VSCode can be found [here](https://davidzhao1015.github.io/blog/2024/R-kernel-jupyter/).

When running a Quarto notebook, make sure that the R package `reticulate` is installed and configured to use the correct Python environment. You can specify the path to the Python binary by running the following command in the terminal:

```bash
Expand All @@ -35,21 +61,23 @@ export RETICULATE_PYTHON="/path/to/your/env/bin/python"

- `data/`: Contains datasets used in the course
- `lessons/`: Contains the lesson notebooks, e.g. in Jupyter format (`.ipynb`)
- `solutions/`: Contains solutions to the exercises provided in the lessons
- `templates`: Contains templates for creating new lessons or exercises
- `README.md`: Instructions and information about the course
- `.gitignore`: Specifies files and directories to be ignored by Git

## Data origins / citations:
- gfmt_sleep*: Beattie, L., Walsh, D., McLaren, J., Biello, S.M. and White, D., 2016. Perceptual impairment in face identification with poor sleep. Royal Society Open Science, 3(10).
- iris.data: Anderson, E., 1935. The irises of the Gaspe Peninsula. Bulletin of American Iris Society, 59, pp.2-5.
- ls_orchids.*: Cox, A.V., Pridgeon, A.M., Albert, V.A. and Chase, M.W., 1997. Phylogenetics of the slipper orchids (Cypripedioideae, Orchidaceae): nuclear rDNA ITS sequences. Plant Systematics and Evolution, 208(3), pp.197-223.
- NC_005816.gb: Zhou, D., Tong, Z., Song, Y., Han, Y., Pei, D., Pang, X., Zhai, J., Li, M., Cui, B., Qi, Z. and Jin, L., 2004. Genetics of metabolic variations between Yersinia pestis biovars and the proposal of a new biovar, microtus. Journal of bacteriology, 186(15), pp.5147-5152.
- reeves_gradient_width_various_methods.cvs: Reeves, G.T., Trisnadi, N., Truong, T.V., Nahmad, M., Katz, S. and Stathopoulos, A., 2012. Dorsal-ventral gene expression in the Drosophila embryo reflects the dynamics and precision of the dorsal nuclear gradient. Developmental cell, 22(3), pp.544-557.
- towels.txt: Douglas Adams, The Hitch Hiker's Guide to the Galaxy, ISBN: 0345391802
## Data sources

- `gfmt_sleep\*`: Beattie, L., Walsh, D., McLaren, J., Biello, S.M. and White, D., 2016. Perceptual impairment in face identification with poor sleep. Royal Society Open Science, 3(10). Released to [Public domain, CC0](https://datadryad.org/dataset/doi:10.5061/dryad.r620r).
- `iris.data`: Anderson, E., 1935. The irises of the Gaspe Peninsula. Bulletin of American Iris Society, 59, pp.2-5. [CC-BY-4.0 License](https://doi.org/10.1111/j.1469-1809.1936.tb02137.x).
- `ls_orchids.\*`: Cox, A.V., Pridgeon, A.M., Albert, V.A. and Chase, M.W., 1997. Phylogenetics of the slipper orchids (Cypripedioideae, Orchidaceae): nuclear rDNA ITS sequences. Plant Systematics and Evolution, 208(3), pp.197-223. [Freely available on NCBI](https://www.ncbi.nlm.nih.gov/nuccore/?term=Phylogenetics%20of%20the%20slipper%20orchids).
- `NC_005816.gb`: Zhou, D., Tong, Z., Song, Y., Han, Y., Pei, D., Pang, X., Zhai, J., Li, M., Cui, B., Qi, Z. and Jin, L., 2004. Genetics of metabolic variations between Yersinia pestis biovars and the proposal of a new biovar, microtus. Journal of bacteriology, 186(15), pp.5147-5152. [Freely available on NCBI](https://www.ncbi.nlm.nih.gov/datasets/genome/GCF_000007885.1/).
- `Jahn_eLife_2021.csv`: Jahn, M., Crang, N., Janasch, M., Hober, A., Forsström, B., Kimler, K., Mattausch, A., Chen, Q., Asplund-Samuelsson, J., & Hudson, E. P. (2021). Protein allocation and utilization in the versatile chemolithoautotroph Cupriavidus necator. eLife, 10(e69019), 1–26. [Freely available on Github, GPL v3](https://github.com/m-jahn/R-notebook-ralstonia-proteome).

## Adding and changing contents
## Contributions

To be added.
**Contributions to the course materials are very welcome!**
If you have suggestions for improvements, or want to report issues, please feel free to [open an issue](https://github.com/MPUSP/coding-for-biologists/issues) or submit a pull request on GitHub.

## Authors

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uniprot,substrate,growthrate,R1,R2,R3,R4
Q0K1H0,formate,0.05,900578172,441270170,3122542832,680060600
Q0K1H0,formate,0.1,614552208,2398450248,366775320,1015804992
Q0K1H0,formate,0.15,705491384,367461526,803938584,782118008
Q0K1H0,formate,0.2,438389228,580611700,938426916,464743138
Q0K1H0,formate,0.25,522893276,1364078846,1373663968,942002356
Q0K1H0,fructose,0.05,305158214,332735058,1400748272,877117100
Q0K1H0,fructose,0.1,78090540,NA,396061392,778370782
Q0K1H0,fructose,0.15,15727490,464742468,398025584,260101530
Q0K1H0,fructose,0.2,79098500,590114016,133964096,296108304
Q0K1H0,fructose,0.25,32359600,257136500,201190480,89447700
Q0K1H0,ammonium,0.05,72514300,378991192,1095938008,641173112
Q0K1H0,ammonium,0.1,8652209052,1020382916,682807584,388322042
Q0K1H0,ammonium,0.15,292831192,728197400,691936776,243449700
Q0K1H0,ammonium,0.2,181858100,260700392,5612858216,6030139888
Q0K1H0,ammonium,0.25,7295757960,284956160,658380400,259553392
Q0K1H0,succinate,0.05,607908460,418218000,463238600,692957484
Q0K1H0,succinate,0.1,460987046,385657000,469888616,310468790
Q0K1H0,succinate,0.15,450655732,408609784,1087130084,333188100
Q0K1H0,succinate,0.2,299384900,656712030,591076116,691310308
Q0K1H0,succinate,0.25,427697608,289053748,562829796,211568150
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5 changes: 3 additions & 2 deletions lessons/lesson_01.ipynb
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Expand Up @@ -36,9 +36,10 @@
"## Course materials and structure\n",
"\n",
"- all course participants can be contacted via the mailing list `python_2026@mpusp.mpg.de`\n",
"- all materials are available at our Github repository: https://github.com/MPUSP/python_course/ (currently private)\n",
"- all materials are available at our Github repository: https://github.com/MPUSP/python_course/\n",
"- each lesson is provided as a Jupyter notebook (`.ipynb`), or alternatively a Quarto (`.qmd`) or R markdown (`.Rmd`) notebook\n",
"- the course material is a blend of own works examples from Justin Bois from Caltech (http://bois.caltech.edu/)\n",
"- the course materials are a blend of own works and code examples from Justin Bois' [Introduction to Programming in the Biological Sciences Bootcamp](https://justinbois.github.io/bootcamp/2024/). The code examples from the Bootcamp course are released with the [MIT License](https://opensource.org/license/mit).\n",
"- all other content that was added is also released under the [MIT License](https://opensource.org/license/mit), except where explicitly noted\n",
"- each lesson is supposed to be worked through in about 90 minutes\n",
"- the course is **interactive (!)**: we will mix small introductory lectures with hands-on exercises\n",
"- participants are expected to actively work through the notebooks, run code cells, and try to understand/solve the given tasks\n",
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