chemicalchecker.util

Utilities used throughout the code.

This module expose several utilities that are broadly used throughout the Chemical Checker code (e.g. logging for handling output or hpc to submit jobs to the HPC cluster).

chemicalchecker.util.aggregate	Data aggregation.
chemicalchecker.util.config	Chemical Checker config.
chemicalchecker.util.decomposition	Cross decomposition.
chemicalchecker.util.decorator	Decorator for classes/functions.
chemicalchecker.util.download	Download raw data files.
chemicalchecker.util.filesystem
chemicalchecker.util.hpc	Submit jobs to an HPC cluster.
chemicalchecker.util.keytype	Detect type of compound keys automatically.
chemicalchecker.util.logging	Logging configuration.
chemicalchecker.util.mol2svg	Mol2svg wrapper.
chemicalchecker.util.network	Network representations.
chemicalchecker.util.parser	Parsing utilities.
chemicalchecker.util.performance	Performance metrics.
chemicalchecker.util.pipeline	Pipile definition utility.
chemicalchecker.util.plot	Collection of plot utilities.
chemicalchecker.util.psql	Basic connection and query fuctions for PostgreSQL.
chemicalchecker.util.remove_near_duplicates	Remove near duplicates rows in a data matrix.
chemicalchecker.util.sampler	Sample large data.
chemicalchecker.util.sanitize	Sanitize input data.
chemicalchecker.util.splitter	Dataset splitter.
chemicalchecker.util.transform	Transform input data.