CGRTools

CGR based reactions manipulations.

based on DOI: 10.1021/ci300149n DOI: 10.1007/s10822-005-9008-0

usage

cgrtools --help

pip install -U git+https://github.com/stsouko/CGRtools.git@master#egg=CGRtools --process-dependency-links --allow-all-external

Name		Name	Last commit message	Last commit date
Latest commit History 53 Commits
CGRtools		CGRtools
hooks		hooks
test		test
trash		trash
LICENSE		LICENSE
README.md		README.md
build.sh		build.sh
setup.cfg		setup.cfg
setup.py		setup.py