CatPred/setup.cfg at main · maranasgroup/CatPred · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
[metadata]
name = catpred
version = 0.0.1
author = Veda Sheersh Boorla, Costas D. Maranas
author_email = mailforveda@gmail.com
license = MIT
description = A comprehensive framework for deep learning in vitro enzyme kinetic parameters kcat, Km and Ki
keywords =
    protein language model
    machine learning
    enzyme function prediction
    message passing neural network
url = https://github.com/maranasgroup/catpred/
download_url = https://github.com/maranasgroup/catpred/v_0.0.1.tar.gz
long_description = file: README.md
long_description_content_type = text/markdown
classifiers =
    Programming Language :: Python :: 3
    Programming Language :: Python :: 3.7
    Programming Language :: Python :: 3.8
    License :: OSI Approved :: MIT License
    Operating System :: OS Independent
project_urls =
    Documentation = https://github.com/maranasgroup/catpred/
    Source = https://github.com/maranasgroup/catpred
    PyPi =
    Demo = http://tiny.cc/catpred

[options]
packages = find:
install_requires =
    flask>=1.1.2
    hyperopt>=0.2.3
    matplotlib>=3.1.3
    numpy>=1.18.1
    pandas>=1.0.3
    pandas-flavor>=0.2.0
    scikit-learn>=0.22.2.post1
    scipy>=1.4.1
    sphinx>=3.1.2
    tensorboardX>=2.0
    torch>=1.4.0
    tqdm>=4.45.0
    typed-argument-parser>=1.6.1
    rdkit>=2020.03.1.0
    descriptastorus
python_requires = >=3.7

[options.entry_points]
console_scripts =
    catpred_train=catpred.train:catpred_train
    catpred_predict=catpred.train:catpred_predict
    catpred_fingerprint=catpred.train:catpred_fingerprint
    catpred_web=catpred.web.run:main

[options.extras_require]
test = pytest>=6.2.2; parameterized>=0.8.1
web =
    fastapi>=0.95,<1.0
    uvicorn>=0.22,<1.0

[options.package_data]
catpred =
    py.typed
    web/static/*.html
    web/static/*.css
    web/static/*.js
    web/static/*.svg