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chore: update model I/O functions and documentation #883

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Dec 22, 2024
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9868583
fix: remove duplicate function
edkerk Oct 18, 2024
ccc3d95
fix: remove exportHumanGEM
edkerk Oct 18, 2024
84c269a
refactor: increaseHumanGEMVersion
edkerk Oct 18, 2024
02d6ef9
chore: I/O of YAML file with latest RAVEN release
edkerk Oct 18, 2024
d747f75
doc: update README.md
edkerk Oct 18, 2024
58a6bd9
fix: testYamlConversion use new funcs
edkerk Oct 18, 2024
b5dc769
chore: add macaw test result
edkerk Oct 19, 2024
e160b42
Merge branch 'develop' into chore/newReleaseFunc
edkerk Oct 28, 2024
b27675f
fix: name of gene essentiality job Github Action
edkerk Oct 28, 2024
920ed38
chore: add macaw test result
edkerk Oct 28, 2024
e828d89
fix: keep test-specific PR reference in sep. lines
edkerk Nov 5, 2024
fb57890
chore: add macaw test result
edkerk Nov 5, 2024
b6c128f
Merge branch 'develop' into chore/newReleaseFunc
edkerk Nov 14, 2024
e9eaec5
Merge remote-tracking branch 'origin/fix/actions' into chore/newRelea…
edkerk Nov 14, 2024
26971e3
chore: add macaw test result
edkerk Nov 14, 2024
e26e4da
fix: genes.tsv quote all content
edkerk Dec 17, 2024
6433f9a
fix: increaseHumanGEMVersion
edkerk Dec 17, 2024
23e5812
fix: testYamlConversion
edkerk Dec 17, 2024
66c8400
temporarily distribute YAML I/O functions
edkerk Dec 17, 2024
16e4e4d
Merge branch 'develop' into chore/newReleaseFunc
edkerk Dec 17, 2024
62db7ee
fix: remove empty GPRs
edkerk Dec 17, 2024
64c2e1d
refactor: increaseHumanGEMVersion
edkerk Dec 18, 2024
dbdd90a
refactor: force specific IO functions
edkerk Dec 18, 2024
dfb4c72
chore: add gene essentiality test result
edkerk Dec 18, 2024
de37bfb
feat: check RAVEN version increaseHumanGEMVersion
edkerk Dec 21, 2024
471a7d5
fix: genes.tsv missing "
edkerk Dec 21, 2024
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2 changes: 1 addition & 1 deletion .github/workflows/gene-essentiality.yml
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ on:
- "develop"

jobs:
check-metabolictasks:
gene-essentiality:
runs-on: self-hosted

steps:
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53 changes: 33 additions & 20 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
[![All Contributors](https://img.shields.io/badge/all_contributors-31-success.svg)](#contributors)
<!-- ALL-CONTRIBUTORS-BADGE:END -->

### Brief Model Description
### Brief model description

This repository contains the latest version of Human-GEM, a human genome-scale metabolic model. We encourage [contributions](#contributing).

Expand All @@ -23,7 +23,7 @@ If you use Mouse1, Rat1, Zebrafish1, Fruitfly1, or Worm1 in your research, pleas



### Model Keywords
### Model keywords

**Utilisation:** predictive simulation, multi-omics integrative analysis, model template
**Field:** metabolic-network reconstruction
Expand All @@ -35,7 +35,7 @@ If you use Mouse1, Rat1, Zebrafish1, Fruitfly1, or Worm1 in your research, pleas
**Condition:** generic metabolism


### Model Overview
### Model overview

|Taxonomy | Template Model | Reactions | Metabolites| Genes |
| ------------- |:-------------:|:-------------:|:-------------:|:-----:|
Expand All @@ -47,25 +47,39 @@ If you use Mouse1, Rat1, Zebrafish1, Fruitfly1, or Worm1 in your research, pleas
Contributions are always welcome! Read more about the project's philosophy in our [wiki](https://github.com/SysBioChalmers/Human-GEM/wiki) or have a look at the [Contributing guidelines](https://github.com/SysBioChalmers/Human-GEM/blob/main/.github/CONTRIBUTING.md) before starting.


## User Guide
## User guide

Detailed instructions on the installation and use of the Human-GEM model and repository can be found in the [Human-GEM user guide](https://sysbiochalmers.github.io/Human-GEM-guide/).


## Installation
# Installation

### Required Software
* A functional MATLAB installation (MATLAB 7.3 and higher).
* The [RAVEN toolbox](https://github.com/SysBioChalmers/RAVEN).
* The [COBRA toolbox](https://github.com/opencobra/cobratoolbox) (not necessary for most functionality).
## Required software
### Basic user
If you want to use the model for your own model simulations, you can use any software that accepts **SBML L3V1 FBCv3** formatted model files. This includes any of the following:

#### MATLAB-based
* [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN) v2.10.1+ (recommended, see [Installation instructions](https://github.com/SysBioChalmers/RAVEN/wiki/Installation#installation-instructions))
* [COBRA Toolbox](https://github.com/opencobra/cobratoolbox)

### Dependencies - Recommended Software
* The libSBML MATLAB API (version [5.13.0](https://sourceforge.net/projects/sbml/files/libsbml/5.13.0/stable/MATLAB%20interface/) is recommended).
* [Gurobi Optimizer](http://www.gurobi.com/registration/download-reg) for any simulations.
#### Python-based
* [cobrapy](https://github.com/opencobra/cobrapy)

Please see the installation instructions for each software package.

### Installation Instructions
### Developer

#### MATLAB-based
If you want to contribute to the development of Human-GEM, or otherwise want to run any of the [provided](https://github.com/SysBioChalmers/Human-GEM/tree/main/code) MATLAB functions, then the following software is required:
* [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN) v2.10.1+ (recommended, see [Installation instructions](https://github.com/SysBioChalmers/RAVEN/wiki/Installation#installation-instructions))

#### Python-based
You can also contribution to the development of Human-GEM via python (e.g. cobrapy), even if you would not be able to run any of the model-specific MATLAB functions. To curate the model, you can still edit `Human-GEM.yml`, `genes.tsv`, `metabolites.tsv` and `reactions.tsv`, all located in the `model/` folder.

### Recommended solver
* When performing simulations with Human-GEM, you are encouraged to use [Gurobi Optimizer](https://www.gurobi.com/academia/academic-program-and-licenses/).

## Installation instructions
* Clone the [main branch](https://github.com/SysBioChalmers/Human-GEM/tree/main) of this repository, or [download the latest release](https://github.com/SysBioChalmers/Human-GEM/releases/latest).
* Add the directory to your MATLAB path either by using the lines below or manually (instructions [here](https://se.mathworks.com/help/matlab/ref/addpath.html?requestedDomain=www.mathworks.com)).
```matlab
Expand All @@ -77,28 +91,27 @@ HumanGEMInstaller.install
HumanGEMInstaller.uninstall
```

## Model Files
## Model files

The model is available as `.xml`, `.xlsx`, `.txt`, `.yml`, and `.mat` in the `model/` directory. Note that only the `.yml` version is available on branches other than `main` (e.g., `develop`), to facilitate tracking of model changes.


## Usage

#### Loading/saving the model
#### Loading/saving the model in MATLAB

`Human-GEM.mat` (Recommended if on `main` branch)
* Load and save using the built-in MATLAB `load()` and `save()` functions.

`Human-GEM.yml` (Recommended if on `develop` or other branches)
* Load using the `importYaml.m` function (in `code/io/`)
* Save using the `exportYaml.m` function (in `code/io/`)
* Load using the `readYAMLmodel.m` function (from [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN))
* Save using the `writeYAMLmodel.m` function (from [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN))

`Human-GEM.xml` (SBML format)
* Load using the `importModel.m` function (from [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN))
* Save using the `exportModel.m` function (from [RAVEN Toolbox](https://github.com/SysBioChalmers/RAVEN))


## Reaction, Metabolite, and Gene Annotations
## Reaction, metabolite, and gene annotations

Additional annotation information and external identifiers for Human-GEM reactions, metabolites, and genes are provided as `tsv` files in the `model/` directory (`reactions.tsv`, `metabolites.tsv`, and `genes.tsv`, respectively).

Expand All @@ -111,7 +124,7 @@ To import/export this annotation data to/from MATLAB, use the `importTsvFile` an
- The [Human-GEM user guide](https://sysbiochalmers.github.io/Human-GEM-guide/) provides detailed instructions and examples for using the Human-GEM model and repository.


## Metabolic Maps
## Metabolic maps

A collection of manually curated 2D metabolic maps associated with Human-GEM are stored in the [Human-maps repository](https://github.com/SysBioChalmers/Human-maps). These maps can be downloaded from the repository or explored interactively using [Metabolic Atlas](https://metabolicatlas.org/explore/map-viewer/human1).

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73 changes: 0 additions & 73 deletions code/GPRs/getGenesFromGrRules.m

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133 changes: 0 additions & 133 deletions code/io/exportHumanGEM.m

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