settings.ini

[DEFAULT]
host = github
lib_name = rxnfp
user = rxn4chemistry
description = chemical reaction fingerprints
keywords = chemical reactions fingerprints classification
author = Philippe Schwaller
author_email = phs@zurich.ibm.com
copyright = RXN for Chemistry team / University of Bern
branch = master
version = 0.1.0
min_python = 3.6
audience = Developers
language = English
custom_sidebar = True
license = mit
status = 2
requirements = transformers>=4.5.0 torch>=1.6 scipy==1.4.1 scikit-learn==0.23.1  matplotlib==3.2.2 faerun==0.3.20
nbs_path = nbs
doc_path = docs
doc_host = https://rxn4chemistry.github.io
doc_baseurl = /rxnfp/
git_url = https://github.com/rxn4chemistry/rxnfp/tree/master/
lib_path = rxnfp
title = rxnfp
tst_flags = data|cuda|slow|optional