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reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["bioinformatics","cheminformatics","chemoinformatics","pip","python3","rdkit"],"created_at":"2026-04-28T19:04:27.955Z","updated_at":"2026-04-28T19:04:30.232Z","avatar_url":"https://github.com/the-metabolic-disassembler.png","language":"Jupyter Notebook","funding_links":[],"categories":[],"sub_categories":[],"readme":"# The Metabolic Disassembler\n\nThe Metabolic Disassembler is a Python package to automatically predict a combination of biosynthetic units in a natural product. This software would help to reveal the starting materials of the target natural product.  \n\n## Installation\n\nInstall The Metabolic Disassembler with `pip`.  \n\n```bash\n$ pip install metadisassembler\n```\n\n## Requirements\n\n- Python (3.6)\n  - [RDKit](https://www.rdkit.org) (version 2019.09.2.0)\n  - [NetworkX](https://networkx.github.io/documentation/stable/) (version 2.2)\n  - [CairoSVG](https://cairosvg.org) (version 2.4.2)\n  - [Pillow (PIL)](https://pillow.readthedocs.io/en/stable/) (version 6.2.1)\n  - [Pandas](https://pandas.pydata.org) (version 0.25.3)\n  - [Matplotlib](https://matplotlib.org) (version 3.1.2)\n\n## Command Line Usage\n\n```bash\n% metadisassembler -h\nusage: metadisassembler [-h] [-t TIME] [--hide] [-c] query\n\npositional arguments:\n  query                 MDL_Molfile, SMILES, InChI, KEGG_COMPOUND_ID,\n                        KNApSAcK_COMPOUND_ID\n\noptional arguments:\n  -h, --help            show this help message and exit\n  -t TIME, --time TIME  set a time limit [s] [default: 300]\n  --hide                hide stereochemistry [default: False]\n  -c, --color           output color allocation information [default: False]\n```\n\n## Basic Usage\nA usage example by Jupyter Notebook can be seen [here](https://github.com/the-metabolic-disassembler/metadisassembler/blob/master/jupyter_usecase/basic_usage.ipynb).   \n\n\u003ca href=\"https://github.com/the-metabolic-disassembler/metadisassembler/blob/master/jupyter_usecase/basic_usage.ipynb\"\u003e\u003cimg src=\"https://raw.githubusercontent.com/the-metabolic-disassembler/metadisassembler/master/jupyter_usecase/jupyter01.png\" width=\"400\"\u003e\u003c/a\u003e\n\n## Google Colab\n\nYou can try the process from installation to the basic usage in Google Colab. [![colab-logo](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/the-metabolic-disassembler/metadisassembler/blob/master/jupyter_usecase/basic_usage_in_colab.ipynb)\n\n\u003ca href=\"https://colab.research.google.com/github/the-metabolic-disassembler/metadisassembler/blob/master/jupyter_usecase/basic_usage_in_colab.ipynb\"\u003e\u003cimg src=\"https://raw.githubusercontent.com/the-metabolic-disassembler/metadisassembler/master/jupyter_usecase/colab01.png\" width=\"400\"\u003e\u003c/a\u003e\n\n## Citation\nAmano K, Matsumoto T, Tanaka K, Funatsu K, Kotera M. Metabolic disassembler for understanding and predicting the biosynthetic units of natural products. *BMC Bioinformatics* **20**, 728 (2019) [doi:10.1186/s12859-019-3183-9](https://doi.org/10.1186/s12859-019-3183-9)  \n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fthe-metabolic-disassembler%2Fmetadisassembler","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fthe-metabolic-disassembler%2Fmetadisassembler","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fthe-metabolic-disassembler%2Fmetadisassembler/lists"}