ChEMBLdb interface for Python
Project description
pychembldb is a Python interface for ChEMBLdb
Requirements
Python 2.7 or later (not support 3.x)
MySQL-python >= 1.2.4
SQLAlchemy >= 0.8.0b2
Setup
Install
git clone https://github.com/kzfm/pychembldb.git cd pychembldb sudo python setup.py install
Setting up engine_url
if you change engine_url, you should set CHEMBL_URI environment variable (default:mysql://root@localhost/chembl_14)
Basic Usage
from pychembldb import * for target in chembldb.query(Target).filter_by(pref_name="Tyrosine-protein kinase ABL"): for assay in target.assays: for activity in assay.activities: print activity.published_value, activity.molecule.structure.standard_inchi_key
See https://github.com/kzfm/pychembldb for details.
History
0.1.1 (2013-01-29)
Several bug fixes
Add synonyms relation
0.1 (2013-01-29)
first release
Project details
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