forked from microsoft/Graphormer
-
Notifications
You must be signed in to change notification settings - Fork 5
/
Copy pathenvironment.yaml
142 lines (141 loc) · 3.73 KB
/
environment.yaml
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
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
name: env_rdkit
channels:
- pytorch
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- backcall=0.2.0=pyhd3eb1b0_0
- blas=1.0=mkl
- ca-certificates=2021.7.5=h06a4308_1
- certifi=2021.5.30=py37h06a4308_0
- cudatoolkit=10.1.243=h6bb024c_0
- decorator=5.0.9=pyhd3eb1b0_0
- freetype=2.10.4=h5ab3b9f_0
- giflib=5.2.1=h7b6447c_0
- intel-openmp=2021.3.0=h06a4308_3350
- ipykernel=5.3.4=py37h5ca1d4c_0
- ipython=7.22.0=py37hb070fc8_0
- ipython_genutils=0.2.0=pyhd3eb1b0_1
- jedi=0.17.0=py37_0
- jpeg=9b=h024ee3a_2
- jupyter_client=6.1.12=pyhd3eb1b0_0
- jupyter_core=4.7.1=py37h06a4308_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.35.1=h7274673_9
- libffi=3.3=he6710b0_2
- libgcc-ng=9.1.0=hdf63c60_0
- libpng=1.6.37=hbc83047_0
- libsodium=1.0.18=h7b6447c_0
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.2.0=h85742a9_0
- libuv=1.40.0=h7b6447c_0
- libwebp=1.2.0=h89dd481_0
- libwebp-base=1.2.0=h27cfd23_0
- lz4-c=1.9.3=h2531618_0
- mkl=2021.3.0=h06a4308_520
- mkl-service=2.4.0=py37h7f8727e_0
- mkl_fft=1.3.0=py37h42c9631_2
- mkl_random=1.2.2=py37h51133e4_0
- ncurses=6.2=he6710b0_1
- ninja=1.10.2=hff7bd54_1
- numpy=1.20.3=py37hf144106_0
- numpy-base=1.20.3=py37h74d4b33_0
- olefile=0.46=py_0
- openssl=1.1.1k=h27cfd23_0
- parso=0.8.2=pyhd3eb1b0_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=8.3.1=py37h5aabda8_0
- pip=21.1.3=py37h06a4308_0
- prompt-toolkit=3.0.17=pyh06a4308_0
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pygments=2.9.0=pyhd3eb1b0_0
- python=3.7.11=h12debd9_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- pyzmq=20.0.0=py37h2531618_1
- readline=8.1=h27cfd23_0
- setuptools=52.0.0=py37h06a4308_0
- six=1.16.0=pyhd3eb1b0_0
- sqlite=3.36.0=hc218d9a_0
- tk=8.6.10=hbc83047_0
- tornado=6.1=py37h27cfd23_0
- traitlets=5.0.5=pyhd3eb1b0_0
- typing_extensions=3.10.0.0=pyh06a4308_0
- wcwidth=0.2.5=py_0
- wheel=0.36.2=pyhd3eb1b0_0
- xz=5.2.5=h7b6447c_0
- zeromq=4.3.4=h2531618_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.4.9=haebb681_0
- pytorch=1.7.1=py3.7_cuda10.1.243_cudnn7.6.3_0
- torchaudio=0.7.2=py37
- torchvision=0.8.2=py37_cu101
- pip:
- absl-py==0.13.0
- aiohttp==3.7.4.post0
- ase==3.22.0
- async-timeout==3.0.1
- attrs==21.2.0
- cached-property==1.5.2
- cachetools==4.2.2
- chardet==4.0.0
- charset-normalizer==2.0.4
- cycler==0.10.0
- cython==0.29.24
- fsspec==2021.7.0
- future==0.18.2
- google-auth==1.34.0
- google-auth-oauthlib==0.4.5
- googledrivedownloader==0.4
- grpcio==1.39.0
- h5py==3.3.0
- idna==3.2
- importlib-metadata==4.6.3
- isodate==0.6.0
- jinja2==3.0.1
- joblib==1.0.1
- julia==0.5.6
- kiwisolver==1.3.1
- littleutils==0.2.2
- llvmlite==0.36.0
- markdown==3.3.4
- markupsafe==2.0.1
- matplotlib==3.4.2
- multidict==5.1.0
- networkx==2.6.2
- numba==0.53.1
- oauthlib==3.1.1
- ogb==1.3.1
- outdated==0.2.1
- packaging==21.0
- pandas==1.3.1
- protobuf==3.17.3
- pyasn1==0.4.8
- pyasn1-modules==0.2.8
- pydeprecate==0.3.0
- pyparsing==2.4.7
- python-louvain==0.15
- pytorch-lightning==1.3.0
- pytz==2021.1
- pyyaml==5.4.1
- rdflib==6.0.0
- rdkit-pypi==2021.3.4
- requests==2.26.0
- requests-oauthlib==1.3.0
- rsa==4.7.2
- scikit-learn==0.24.2
- scipy==1.7.1
- tensorboard==2.4.1
- tensorboard-plugin-wit==1.8.0
- threadpoolctl==2.2.0
- torch==1.7.1
- torch-geometric==1.6.3
- torch-scatter==2.0.6
- torch-sparse==0.6.9
- torchmetrics==0.4.1
- tqdm==4.62.0
- urllib3==1.26.6
- werkzeug==2.0.1
- yarl==1.6.3
- zipp==3.5.0
prefix: /data00/home/chihuixuan/anaconda3/envs/env_rdkit