-
Notifications
You must be signed in to change notification settings - Fork 2
/
environment.yml
166 lines (166 loc) · 5.11 KB
/
environment.yml
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
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
name: adaptergnn
channels:
- pyg
- conda-forge
- rmg
- rdkit
- pytorch
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=1_gnu
- blas=1.0=mkl
- boost=1.74.0=py39h5472131_5
- boost-cpp=1.74.0=h6cacc03_7
- brotli=1.0.9=h7f98852_6
- brotli-bin=1.0.9=h7f98852_6
- brotlipy=0.7.0=py39h3811e60_1003
- bzip2=1.0.8=h7f98852_4
- ca-certificates=2021.10.8=ha878542_0
- cairo=1.16.0=ha00ac49_1009
- certifi=2021.10.8=py39hf3d152e_1
- cffi=1.15.0=py39h4bc2ebd_0
- charset-normalizer=2.0.12=pyhd8ed1ab_0
- colorama=0.4.4=pyh9f0ad1d_0
- cryptography=36.0.0=py39h9ce1e76_0
- cudatoolkit=11.3.1=h2bc3f7f_2
- cycler=0.11.0=pyhd8ed1ab_0
- ffmpeg=4.3=hf484d3e_0
- font-ttf-dejavu-sans-mono=2.37=hab24e00_0
- font-ttf-inconsolata=3.000=h77eed37_0
- font-ttf-source-code-pro=2.038=h77eed37_0
- font-ttf-ubuntu=0.83=hab24e00_0
- fontconfig=2.13.96=ha180cfb_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.29.1=py39h3811e60_0
- freetype=2.10.4=h0708190_1
- gettext=0.19.8.1=h73d1719_1008
- giflib=5.2.1=h36c2ea0_2
- gmp=6.2.1=h2531618_2
- gnutls=3.6.15=he1e5248_0
- googledrivedownloader=0.4=pyhd3deb0d_1
- icu=69.1=h9c3ff4c_0
- idna=3.3=pyhd8ed1ab_0
- intel-openmp=2021.4.0=h06a4308_3561
- jbig=2.1=h7f98852_2003
- jinja2=3.0.3=pyhd8ed1ab_0
- joblib=1.1.0=pyhd8ed1ab_0
- jpeg=9e=h7f98852_0
- kiwisolver=1.3.2=py39h1a9c180_1
- lame=3.100=h7b6447c_0
- lcms2=2.12=hddcbb42_0
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- lerc=3.0=h9c3ff4c_0
- libblas=3.9.0=12_linux64_mkl
- libbrotlicommon=1.0.9=h7f98852_6
- libbrotlidec=1.0.9=h7f98852_6
- libbrotlienc=1.0.9=h7f98852_6
- libcblas=3.9.0=12_linux64_mkl
- libdeflate=1.10=h7f98852_0
- libffi=3.4.2=h7f98852_5
- libgcc-ng=11.2.0=h1d223b6_13
- libgfortran-ng=11.2.0=h69a702a_13
- libgfortran5=11.2.0=h5c6108e_13
- libglib=2.70.2=h174f98d_4
- libgomp=11.2.0=h1d223b6_13
- libiconv=1.16=h516909a_0
- libidn2=2.3.2=h7f8727e_0
- liblapack=3.9.0=12_linux64_mkl
- libnsl=2.0.0=h7f98852_0
- libopenblas=0.3.18=pthreads_h8fe5266_0
- libpng=1.6.37=h21135ba_2
- libprotobuf=3.19.4=h780b84a_0
- libstdcxx-ng=11.2.0=he4da1e4_13
- libtasn1=4.16.0=h27cfd23_0
- libtiff=4.3.0=h542a066_3
- libunistring=0.9.10=h27cfd23_0
- libuuid=2.32.1=h7f98852_1000
- libuv=1.40.0=h7b6447c_0
- libwebp=1.2.2=h3452ae3_0
- libwebp-base=1.2.2=h7f98852_1
- libxcb=1.13=h7f98852_1004
- libxml2=2.9.12=h885dcf4_1
- libzlib=1.2.11=h36c2ea0_1013
- lz4-c=1.9.3=h9c3ff4c_1
- markupsafe=2.1.0=py39hb9d737c_1
- matplotlib-base=3.5.1=py39h2fa2bec_0
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py39h7f8727e_0
- mkl_fft=1.3.1=py39hd3c417c_0
- mkl_random=1.2.2=py39h51133e4_0
- munkres=1.1.4=pyh9f0ad1d_0
- ncurses=6.3=h9c3ff4c_0
- nettle=3.7.3=hbbd107a_1
- networkx=2.7.1=pyhd8ed1ab_0
- numpy=1.21.2=py39h20f2e39_0
- numpy-base=1.21.2=py39h79a1101_0
- openh264=2.1.1=h4ff587b_0
- openjpeg=2.4.0=hb52868f_1
- openssl=3.0.0=h7f98852_2
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.4.1=py39hde0f152_0
- pcre=8.45=h9c3ff4c_0
- pillow=9.0.1=py39hae2aec6_2
- pip=22.0.4=pyhd8ed1ab_0
- pixman=0.40.0=h36c2ea0_0
- protobuf=3.19.4=py39he80948d_0
- pthread-stubs=0.4=h36c2ea0_1001
- pycairo=1.20.1=py39hedcb9fc_1
- pycparser=2.21=pyhd8ed1ab_0
- pyg=2.0.3=py39_torch_1.10.0_cu113
- pyopenssl=22.0.0=pyhd8ed1ab_0
- pyparsing=3.0.7=pyhd8ed1ab_0
- pysocks=1.7.1=py39hf3d152e_4
- python=3.9.10=hc74c709_2_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-louvain=0.15=pyhd8ed1ab_1
- python_abi=3.9=2_cp39
- pytorch=1.10.2=py3.9_cuda11.3_cudnn8.2.0_0
- pytorch-cluster=1.5.9=py39_torch_1.10.0_cu113
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.0.9=py39_torch_1.10.0_cu113
- pytorch-sparse=0.6.12=py39_torch_1.10.0_cu113
- pytorch-spline-conv=1.2.1=py39_torch_1.10.0_cu113
- pytz=2021.3=pyhd8ed1ab_0
- pyyaml=6.0=py39h3811e60_3
- rdkit=2020.09.1=py39h54e287e_0
- readline=8.1=h46c0cb4_0
- requests=2.27.1=pyhd8ed1ab_0
- scikit-learn=1.0.2=py39h4dfa638_0
- scipy=1.8.0=py39hee8e79c_1
- setuptools=60.9.3=py39hf3d152e_0
- six=1.16.0=pyh6c4a22f_0
- sqlite=3.37.0=h9cd32fc_0
- tensorboardx=2.5=pyhd8ed1ab_0
- threadpoolctl=3.1.0=pyh8a188c0_0
- tk=8.6.12=h27826a3_0
- torchaudio=0.10.2=py39_cu113
- torchvision=0.11.3=py39_cu113
- tqdm=4.63.0=pyhd8ed1ab_0
- typing_extensions=3.10.0.2=pyh06a4308_0
- tzdata=2021e=he74cb21_0
- unicodedata2=14.0.0=py39h3811e60_0
- urllib3=1.26.8=pyhd8ed1ab_1
- wheel=0.37.1=pyhd8ed1ab_0
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.0.10=h7f98852_0
- xorg-libsm=1.2.3=hd9c2040_1000
- xorg-libx11=1.7.2=h7f98852_0
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h7f98852_1
- xorg-libxrender=0.9.10=h7f98852_1003
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.5=h516909a_1
- yacs=0.1.8=pyhd8ed1ab_0
- yaml=0.2.5=h7f98852_2
- zlib=1.2.11=h36c2ea0_1013
- zstd=1.5.2=ha95c52a_0
- pip:
- cloudpickle==2.1.0
- future==0.18.2
- hyperopt==0.2.7
- py4j==0.10.9.5