ECTforMoleculeMachineLearningTask/requeriments.txt at main · victosdur/ECTforMoleculeMachineLearningTask · 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
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
aiohappyeyeballs==2.6.1
aiohttp==3.11.18
aiosignal==1.3.2
asttokens==3.0.0
async-timeout==5.0.1
attrs==25.3.0
certifi==2025.4.26
charset-normalizer==3.4.1
colorama==0.4.6
comm==0.2.2
contourpy==1.3.2
cycler==0.12.1
debugpy==1.8.14
decorator==5.2.1
dect @ git+https://github.com/aidos-lab/dect.git@6e6b6ace15e23d493bc4260de813276bb548c4a0
ect==1.0.3
exceptiongroup==1.2.2
executing==2.2.0
filelock==3.18.0
fonttools==4.57.0
frozenlist==1.6.0
fsspec==2025.3.2
geotorch==0.3.0
idna==3.10
ipykernel==6.29.5
ipython==8.36.0
ipywidgets==8.1.7
jedi==0.19.2
Jinja2==3.1.6
joblib==1.4.2
jupyter_client==8.6.3
jupyter_core==5.7.2
jupyterlab_widgets==3.0.15
kiwisolver==1.4.8
llvmlite==0.44.0
MarkupSafe==3.0.2
matplotlib==3.10.1
matplotlib-inline==0.1.7
mpmath==1.3.0
multidict==6.4.3
nest-asyncio==1.6.0
networkx==3.4.2
numba==0.61.2
numpy==2.2.5
packaging==25.0
pandas==2.2.3
parso==0.8.4
pbr==6.1.1
pdoc==15.0.3
pillow==11.2.1
platformdirs==4.3.7
prompt_toolkit==3.0.51
propcache==0.3.1
psutil==7.0.0
pure_eval==0.2.3
Pygments==2.19.1
pyparsing==3.2.3
pysmiles==2.0.0
python-dateutil==2.9.0.post0
pytz==2025.2
pywin32==310
pyzmq==26.4.0
questionary==2.1.0
rdkit==2024.9.6
requests==2.32.3
scikit-learn==1.6.1
scipy==1.15.2
seaborn==0.13.2
six==1.17.0
stack-data==0.6.3
sympy==1.14.0
threadpoolctl==3.6.0
torch==2.7.0
torch-geometric==2.6.1
tornado==6.4.2
tqdm==4.67.1
traitlets==5.14.3
typing_extensions==4.13.2
tzdata==2025.2
urllib3==2.4.0
wcwidth==0.2.13
widgetsnbextension==4.0.14
xgboost==3.0.0
yarl==1.20.0