Download Centre

Database Information

It is possible to download DIMEdb directly without going through the DIMEdb web service.

File Name	File Size
structures.zip	233M
dimedb_pathways.zip	152K
dimedb_sources.zip	2M
dimedb_pc_info.zip	10M
dimedb_id_info.zip	17M

Available Software

dimedbpy: Python wrapper for the DIMEdb REST API.

dimedbyp provides a way to interact with the DIMEdb web service in Python. It provides metabolite queries by name, structure, and adduct information.

Here's a quick example, showing how to retrieve metabolites by id (InChIKey):

from dimedbpy import get_metabolites

metabolites = get_metabolites("DOUMFZQKYFQNTF-WUTVXBCWSA-N")

for metabolite in metabolites:
    print metabolite.name

dimedbpy is licensed under the open source MIT licence, and is freely available here.

pyIDICk: Python Isotopic Distribution Calculator

pyIDICk can calculate the isotopic distribution of a given SMILES string.

Here's an example of how to use the package.

import pyidick

# Create Molecule object for H2O
m = pyidick.Molecule("O")

# Return Molecular Formula
m.molecular_formula

#Calculate Isotopic Distribution
m.isotopic_distribution()

pyIDICK is licensed under the open source MIT licence, and is freely available here.