-
Notifications
You must be signed in to change notification settings - Fork 2
/
environment.yaml
executable file
·210 lines (209 loc) · 5.97 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
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
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
name: cdmvgnn
channels:
- rdkit
- pytorch
- abinit
- matsci
- defaults
- conda-forge
dependencies:
- _libgcc_mutex=0.1=main
- _r-mutex=1.0.1=anacondar_1
- absl-py=0.7.1=py36_0
- astor=0.7.1=py_0
- attrs=19.1.0=py36_1
- backcall=0.1.0=py36_0
- binutils_impl_linux-64=2.31.1=h6176602_1
- binutils_linux-64=2.31.1=h6176602_8
- blas=1.0=mkl
- bleach=3.1.0=py36_0
- boost=1.68.0=py36h8619c78_1001
- boost-cpp=1.68.0=h11c811c_1000
- bwidget=1.9.11=0
- bzip2=1.0.8=h516909a_0
- c-ares=1.15.0=h516909a_1001
- ca-certificates=2020.1.1=0
- cairo=1.16.0=h18b612c_1001
- cairocffi=0.7.2=py36_0
- cairosvg=2.4.0=py_0
- certifi=2019.11.28=py36_0
- cffi=1.12.3=py36h2e261b9_0
- cssselect2=0.2.1=py_0
- cudatoolkit=9.0=h13b8566_0
- curl=7.65.3=hf8cf82a_0
- cycler=0.10.0=py_1
- dbus=1.13.6=he372182_0
- decorator=4.4.0=py36_1
- defusedxml=0.6.0=py_0
- entrypoints=0.3=py36_0
- expat=2.2.6=he6710b0_0
- fontconfig=2.13.1=he4413a7_1000
- freetype=2.9.1=h8a8886c_1
- gast=0.2.2=py_0
- gcc_impl_linux-64=7.3.0=habb00fd_1
- gcc_linux-64=7.3.0=h553295d_8
- gdk-pixbuf=2.36.12=h7a26e22_1003
- gettext=0.19.8.1=hc5be6a0_1002
- gfortran_impl_linux-64=7.3.0=hdf63c60_1
- gfortran_linux-64=7.3.0=h553295d_8
- glib=2.58.3=h6f030ca_1002
- gmp=6.1.2=h6c8ec71_1
- gobject-introspection=1.58.2=py36h5503ade_1002
- graphite2=1.3.13=hf484d3e_1000
- grpcio=1.16.1=py36hf8bcb03_1
- gsl=2.4=h14c3975_4
- gst-plugins-base=1.14.5=h0935bb2_0
- gstreamer=1.14.5=h36ae1b5_0
- gxx_impl_linux-64=7.3.0=hdf63c60_1
- gxx_linux-64=7.3.0=h553295d_8
- h5py=2.9.0=nompi_py36hf008753_1102
- harfbuzz=2.4.0=h37c48d4_1
- hdf5=1.10.4=nompi_h3c11f04_1106
- icu=58.2=hf484d3e_1000
- importlib_metadata=1.5.0=py36_0
- intel-openmp=2019.4=243
- ipykernel=5.1.2=py36h39e3cac_0
- ipython=7.8.0=py36h39e3cac_0
- ipython_genutils=0.2.0=py36_0
- ipywidgets=7.5.1=py_0
- jedi=0.15.1=py36_0
- jinja2=2.10.1=py36_0
- joblib=0.13.2=py36_0
- jpeg=9c=h14c3975_1001
- jsonschema=3.0.2=py36_0
- jupyter=1.0.0=py36_7
- jupyter_client=5.3.1=py_0
- jupyter_console=6.0.0=py36_0
- jupyter_core=4.5.0=py_0
- keras-applications=1.0.7=py_1
- keras-preprocessing=1.0.9=py_1
- kiwisolver=1.1.0=py36hc9558a2_0
- krb5=1.16.3=h05b26f9_1001
- ld_impl_linux-64=2.33.1=h53a641e_7
- libboost=1.67.0=h46d08c1_4
- libcroco=0.6.13=h8d621e5_0
- libcurl=7.65.3=hda55be3_0
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=hd88cf55_4
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.3.0=hdf63c60_0
- libiconv=1.15=h516909a_1005
- libpng=1.6.37=hbc83047_0
- libprotobuf=3.9.0=h8b12597_0
- librsvg=2.44.14=h11c8777_0
- libsodium=1.0.16=h1bed415_0
- libssh2=1.8.2=h22169c7_2
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.0.10=h2733197_2
- libuuid=2.32.1=h14c3975_1000
- libxcb=1.13=h14c3975_1002
- libxml2=2.9.9=h13577e0_2
- lmdb=0.9.23=he6710b0_0
- make=4.2.1=h14c3975_2004
- markdown=3.1.1=py_0
- markupsafe=1.1.1=py36h7b6447c_0
- matplotlib=3.1.1=py36_0
- matplotlib-base=3.1.1=py36hfd891ef_0
- memory_profiler=0.55.0=py_0
- mistune=0.8.4=py36h7b6447c_0
- mkl=2019.4=243
- mkl-service=2.0.2=py36h7b6447c_0
- mkl_fft=1.0.12=py36ha843d7b_0
- mkl_random=1.0.2=py36hd81dba3_0
- mock=3.0.5=py36_0
- nbconvert=5.5.0=py_0
- nbformat=4.4.0=py36_0
- ncurses=6.1=he6710b0_1
- networkx=2.3=py_0
- ninja=1.9.0=py36hfd86e86_0
- notebook=6.0.0=py36_0
- numpy=1.16.4=py36h7e9f1db_0
- numpy-base=1.16.4=py36hde5b4d6_0
- olefile=0.46=py36_0
- openssl=1.1.1d=h7b6447c_4
- pandas=0.25.0=py36hb3f55d8_0
- pandoc=2.2.3.2=0
- pandocfilters=1.4.2=py36_1
- pango=1.40.14=he7ab937_1005
- parso=0.5.1=py_0
- pcre=8.43=he6710b0_0
- pexpect=4.7.0=py36_0
- pickleshare=0.7.5=py36_0
- pillow=6.1.0=py36h34e0f95_0
- pip=19.1.1=py36_0
- pixman=0.38.0=h516909a_1003
- prometheus_client=0.7.1=py_0
- prompt_toolkit=2.0.9=py36_0
- protobuf=3.9.0=py36he1b5a44_0
- psutil=5.6.7=py36h7b6447c_0
- pthread-stubs=0.4=h14c3975_1001
- ptyprocess=0.6.0=py36_0
- py-boost=1.67.0=py36h04863e7_4
- pycairo=1.18.1=py36h2a1e443_0
- pycparser=2.19=py36_0
- pygments=2.4.2=py_0
- pyparsing=2.4.2=py_0
- pyqt=5.9.2=py36h05f1152_2
- pyrsistent=0.14.11=py36h7b6447c_0
- python=3.6.8=h0371630_0
- python-dateutil=2.8.0=py_0
- python-lmdb=0.96=py36he1b5a44_0
- pytorch=1.1.0=py3.6_cuda9.0.176_cudnn7.5.1_0
- pytz=2019.1=py_0
- pyzmq=18.1.0=py36he6710b0_0
- qt=5.9.7=h52cfd70_2
- qtconsole=4.5.4=py_0
- r-base=3.5.1=h271c98b_1006
- r-rsvg=1.3=r35he2b1dff_1004
- rdkit=2019.03.4.0=py36hc20afe1_1
- readline=7.0=h7b6447c_5
- scikit-learn=0.21.2=py36hd81dba3_0
- scipy=1.3.0=py36h7c811a0_0
- send2trash=1.5.0=py36_0
- setuptools=41.0.1=py36_0
- sip=4.19.8=py36hf484d3e_0
- six=1.12.0=py36_0
- sqlite=3.29.0=h7b6447c_0
- tensorflow=1.13.1=py36_0
- tensorflow-estimator=1.13.0=py_0
- termcolor=1.1.0=py_2
- terminado=0.8.2=py36_0
- testpath=0.4.2=py36_0
- tinycss2=1.0.2=py_1
- tk=8.6.9=hed695b0_1002
- tktable=2.10=h555a92e_1
- torchvision=0.3.0=py36_cu9.0.176_1
- tornado=6.0.3=py36h7b6447c_0
- tqdm=4.32.1=py_0
- traitlets=4.3.2=py36_0
- wcwidth=0.1.7=py36_0
- webencodings=0.5.1=py36_1
- werkzeug=0.15.5=py_0
- wheel=0.33.4=py36_0
- widgetsnbextension=3.5.1=py36_0
- xorg-kbproto=1.0.7=h14c3975_1002
- xorg-libice=1.0.10=h516909a_0
- xorg-libsm=1.2.3=h84519dc_1000
- xorg-libx11=1.6.8=h516909a_0
- xorg-libxau=1.0.9=h14c3975_0
- xorg-libxdmcp=1.1.3=h516909a_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-libxrender=0.9.10=h516909a_1002
- xorg-renderproto=0.11.1=h14c3975_1002
- xorg-xextproto=7.3.0=h14c3975_1002
- xorg-xproto=7.0.31=h14c3975_1007
- xz=5.2.4=h14c3975_4
- zeromq=4.3.1=he6710b0_3
- zipp=2.2.0=py_0
- zlib=1.2.11=h7b6447c_3
- zstd=1.3.7=h0b5b093_0
- pip:
- autograd==1.3
- chardet==3.0.4
- future==0.18.2
- idna==2.9
- requests==2.23.0
- smile==0.1.0
- tensorboard==1.14.0
- urllib3==1.25.9
prefix: /home/hm/anaconda3/envs/dual