forked from igashov/DiffLinker
-
Notifications
You must be signed in to change notification settings - Fork 1
/
environment.yml
309 lines (309 loc) · 9.8 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
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
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
name: difflinker
channels:
- pyg
- pytorch
- conda-forge
- anaconda
- defaults
- schrodinger
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- absl-py=1.1.0=pyhd8ed1ab_0
- aiohttp=3.8.1=py310h5764c6d_1
- aiosignal=1.2.0=pyhd8ed1ab_0
- alsa-lib=1.2.6.1=h7f98852_0
- argon2-cffi=21.3.0=pyhd3eb1b0_0
- argon2-cffi-bindings=21.2.0=py310h7f8727e_0
- asttokens=2.0.5=pyhd3eb1b0_0
- async-timeout=4.0.2=pyhd8ed1ab_0
- attr=2.5.1=h166bdaf_1
- attrs=21.4.0=pyhd8ed1ab_0
- backcall=0.2.0=pyhd3eb1b0_0
- beautifulsoup4=4.11.1=py310h06a4308_0
- biopython=1.79=py310h5764c6d_2
- blas=1.0=mkl
- bleach=4.1.0=pyhd3eb1b0_0
- blinker=1.4=py_1
- boost=1.74.0=py310h7c3ba0c_5
- boost-cpp=1.74.0=h75c5d50_8
- brotli=1.0.9=h166bdaf_7
- brotli-bin=1.0.9=h166bdaf_7
- brotlipy=0.7.0=py310h7f8727e_1002
- bzip2=1.0.8=h7f98852_4
- c-ares=1.18.1=h7f98852_0
- ca-certificates=2022.07.19=h06a4308_0
- cachetools=5.0.0=pyhd8ed1ab_0
- cairo=1.16.0=ha61ee94_1011
- certifi=2022.6.15=py310h06a4308_0
- cffi=1.15.0=py310hd667e15_1
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.1.3=py310hff52083_0
- colorama=0.4.4=pyh9f0ad1d_0
- cryptography=37.0.1=py310h9ce1e76_0
- cudatoolkit=10.2.89=hfd86e86_1
- cycler=0.11.0=pyhd8ed1ab_0
- dbus=1.13.18=hb2f20db_0
- debugpy=1.5.1=py310h295c915_0
- decorator=5.1.1=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd3eb1b0_0
- docker-pycreds=0.4.0=py_0
- entrypoints=0.4=py310h06a4308_0
- executing=0.8.3=pyhd3eb1b0_0
- expat=2.4.8=h27087fc_0
- ffmpeg=4.3=hf484d3e_0
- fftw=3.3.9=h27cfd23_1
- 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=2.14.0=h8e229c2_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.33.3=py310h5764c6d_0
- freetype=2.10.4=h0708190_1
- frozenlist=1.3.0=py310h5764c6d_1
- fsspec=2022.5.0=pyhd8ed1ab_0
- future=0.18.2=py310hff52083_5
- gettext=0.19.8.1=h73d1719_1008
- giflib=5.2.1=h36c2ea0_2
- gitdb=4.0.9=pyhd8ed1ab_0
- gitpython=3.1.27=pyhd8ed1ab_0
- glib=2.72.1=h6239696_0
- glib-tools=2.72.1=h6239696_0
- gmp=6.2.1=h2531618_2
- gnutls=3.6.15=he1e5248_0
- google-auth=2.6.6=pyh6c4a22f_0
- google-auth-oauthlib=0.4.1=py_2
- greenlet=1.1.2=py310hd8f1fbe_2
- grpcio=1.42.0=py310hce63b2e_0
- gst-plugins-base=1.20.3=hf6a322e_0
- gstreamer=1.20.3=hd4edc92_0
- html5lib=1.1=pyhd3eb1b0_0
- icu=70.1=h27087fc_0
- idna=3.3=pyhd3eb1b0_0
- imageio=2.19.2=pyhcf75d05_0
- importlib-metadata=4.11.4=py310hff52083_0
- intel-openmp=2021.4.0=h06a4308_3561
- ipykernel=6.9.1=py310h06a4308_0
- ipython=8.3.0=py310h06a4308_0
- ipython_genutils=0.2.0=pyhd3eb1b0_1
- ipywidgets=7.6.5=pyhd3eb1b0_1
- jack=1.9.18=h8c3723f_1002
- jbig=2.1=h7f98852_2003
- jedi=0.18.1=py310h06a4308_1
- jinja2=3.0.3=pyhd3eb1b0_0
- joblib=1.1.0=pyhd3eb1b0_0
- jpeg=9e=h166bdaf_1
- json-c=0.16=hc379101_0
- jsonschema=4.4.0=py310h06a4308_0
- jupyter=1.0.0=py310h06a4308_7
- jupyter_client=7.2.2=py310h06a4308_0
- jupyter_console=6.4.3=pyhd3eb1b0_0
- jupyter_core=4.10.0=py310h06a4308_0
- jupyterlab_pygments=0.1.2=py_0
- jupyterlab_widgets=1.0.0=pyhd3eb1b0_1
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.2=py310hbf28c38_1
- krb5=1.19.3=h3790be6_0
- lame=3.100=h7b6447c_0
- lcms2=2.12=hddcbb42_0
- ld_impl_linux-64=2.36.1=hea4e1c9_2
- lerc=3.0=h9c3ff4c_0
- libbrotlicommon=1.0.9=h166bdaf_7
- libbrotlidec=1.0.9=h166bdaf_7
- libbrotlienc=1.0.9=h166bdaf_7
- libcap=2.64=ha37c62d_0
- libclang=14.0.6=default_h2e3cab8_0
- libclang13=14.0.6=default_h3a83d3e_0
- libcups=2.3.3=h3e49a29_2
- libdb=6.2.32=h6a678d5_1
- libdeflate=1.10=h7f98852_0
- libedit=3.1.20210910=h7f8727e_0
- libevent=2.1.10=h9b69904_4
- libffi=3.4.2=h7f98852_5
- libflac=1.3.4=h27087fc_0
- libgcc-ng=12.1.0=h8d9b700_16
- libgfortran-ng=7.5.0=ha8ba4b0_17
- libgfortran4=7.5.0=ha8ba4b0_17
- libglib=2.72.1=h2d90d5f_0
- libgomp=12.1.0=h8d9b700_16
- libiconv=1.16=h516909a_0
- libidn2=2.3.2=h7f8727e_0
- libllvm14=14.0.6=he0ac6c6_0
- libnsl=2.0.0=h7f98852_0
- libogg=1.3.5=h27cfd23_1
- libopenblas=0.3.18=hf726d26_0
- libopus=1.3.1=h7b6447c_0
- libpng=1.6.37=h21135ba_2
- libpq=14.5=hd77ab85_0
- libprotobuf=3.20.1=h6239696_0
- libsndfile=1.0.31=h9c3ff4c_1
- libsodium=1.0.18=h7b6447c_0
- libstdcxx-ng=12.1.0=ha89aaad_16
- libtasn1=4.16.0=h27cfd23_0
- libtiff=4.3.0=h542a066_3
- libtool=2.4.6=h295c915_1008
- libunistring=0.9.10=h27cfd23_0
- libuuid=2.32.1=h7f98852_1000
- libuv=1.40.0=h7b6447c_0
- libvorbis=1.3.7=h7b6447c_0
- libwebp=1.2.2=h3452ae3_0
- libwebp-base=1.2.2=h7f98852_1
- libxcb=1.13=h7f98852_1004
- libxkbcommon=1.0.3=he3ba5ed_0
- libxml2=2.9.14=h22db469_4
- libzlib=1.2.12=h166bdaf_2
- lz4-c=1.9.3=h9c3ff4c_1
- markdown=3.3.7=pyhd8ed1ab_0
- markupsafe=2.1.1=py310h7f8727e_0
- matplotlib=3.5.2=py310h06a4308_0
- matplotlib-base=3.5.2=py310h5701ce4_0
- matplotlib-inline=0.1.2=pyhd3eb1b0_2
- mistune=0.8.4=py310h7f8727e_1000
- mkl=2021.4.0=h06a4308_640
- mkl-service=2.4.0=py310h7f8727e_0
- mkl_fft=1.3.1=py310hd6ae3a3_0
- mkl_random=1.2.2=py310h00e6091_0
- multidict=6.0.2=py310h5764c6d_1
- munkres=1.1.4=pyh9f0ad1d_0
- mysql-common=8.0.30=haf5c9bc_0
- mysql-libs=8.0.30=h28c427c_0
- nbclient=0.5.13=py310h06a4308_0
- nbconvert=6.4.4=py310h06a4308_0
- nbformat=5.3.0=py310h06a4308_0
- ncurses=6.3=h27087fc_1
- nest-asyncio=1.5.5=py310h06a4308_0
- nettle=3.7.3=hbbd107a_1
- networkx=2.8.4=py310h06a4308_0
- notebook=6.4.11=py310h06a4308_0
- nspr=4.33=h295c915_0
- nss=3.78=h2350873_0
- numpy=1.22.3=py310hfa59a62_0
- numpy-base=1.22.3=py310h9585f30_0
- oauthlib=3.2.0=pyhd8ed1ab_0
- openh264=2.1.1=h4ff587b_0
- openjpeg=2.4.0=hb52868f_1
- openssl=1.1.1q=h7f8727e_0
- packaging=21.3=pyhd8ed1ab_0
- pandas=1.4.2=py310h769672d_1
- pandocfilters=1.5.0=pyhd3eb1b0_0
- parso=0.8.3=pyhd3eb1b0_0
- pathtools=0.1.2=py_1
- pcre=8.45=h9c3ff4c_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=9.1.0=py310he619898_2
- pip=22.0.4=pyhd8ed1ab_0
- pixman=0.40.0=h36c2ea0_0
- ply=3.11=py310h06a4308_0
- portaudio=19.6.0=h7b6447c_4
- prometheus_client=0.13.1=pyhd3eb1b0_0
- promise=2.3=py310hff52083_6
- prompt-toolkit=3.0.20=pyhd3eb1b0_0
- prompt_toolkit=3.0.20=hd3eb1b0_0
- protobuf=3.20.1=py310hd8f1fbe_0
- psutil=5.9.1=py310h5764c6d_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pulseaudio=14.0=h583eb01_5
- pure_eval=0.2.2=pyhd3eb1b0_0
- pyasn1=0.4.8=py_0
- pyasn1-modules=0.2.7=py_0
- pycairo=1.21.0=py310h96fc21a_1
- pycparser=2.21=pyhd3eb1b0_0
- pydeprecate=0.3.2=pyhd8ed1ab_0
- pygments=2.11.2=pyhd3eb1b0_0
- pyjwt=2.4.0=pyhd8ed1ab_0
- pyopenssl=22.0.0=pyhd3eb1b0_0
- pyparsing=3.0.8=pyhd8ed1ab_0
- pyqt=5.15.7=py310h29803b5_0
- pyqt5-sip=12.11.0=py310hd8f1fbe_0
- pyrsistent=0.18.0=py310h7f8727e_0
- pysocks=1.7.1=py310h06a4308_0
- python=3.10.5=h582c2e5_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-fastjsonschema=2.15.1=pyhd3eb1b0_0
- python_abi=3.10=2_cp310
- pytorch=1.11.0=py3.10_cuda10.2_cudnn7.6.5_0
- pytorch-lightning=1.6.3=pyhd8ed1ab_0
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.0.9=py310_torch_1.11.0_cu102
- pytz=2022.1=pyhd8ed1ab_0
- pyu2f=0.1.5=pyhd8ed1ab_0
- pyyaml=6.0=py310h5764c6d_4
- pyzmq=22.3.0=py310h295c915_2
- qt-main=5.15.4=ha5833f6_2
- qtconsole=5.3.0=pyhd3eb1b0_0
- qtpy=2.0.1=pyhd3eb1b0_0
- rdkit=2022.03.2=py310h1c297d8_0
- readline=8.1.2=h7f8727e_1
- reportlab=3.5.68=py310h94fcab3_1
- requests=2.27.1=pyhd3eb1b0_0
- requests-oauthlib=1.3.1=pyhd8ed1ab_0
- rsa=4.8=pyhd8ed1ab_0
- scikit-learn=1.0.1=py310h00e6091_0
- scipy=1.7.3=py310hfa59a62_0
- seaborn=0.11.2=pyhd3eb1b0_0
- send2trash=1.8.0=pyhd3eb1b0_1
- sentry-sdk=1.5.12=pyhd8ed1ab_0
- setproctitle=1.2.3=py310h5764c6d_0
- setuptools=59.5.0=py310hff52083_0
- shortuuid=1.0.8=py310hff52083_0
- sip=6.6.2=py310hd8f1fbe_0
- six=1.16.0=pyh6c4a22f_0
- smmap=3.0.5=pyh44b312d_0
- soupsieve=2.3.1=pyhd3eb1b0_0
- sqlalchemy=1.4.36=py310h5764c6d_0
- sqlite=3.38.5=h4ff8645_0
- stack_data=0.2.0=pyhd3eb1b0_0
- tensorboard=2.6.0=py_0
- tensorboard-plugin-wit=1.8.1=pyhd8ed1ab_0
- terminado=0.13.1=py310h06a4308_0
- testpath=0.6.0=py310h06a4308_0
- threadpoolctl=2.2.0=pyh0d69192_0
- timeout-decorator=0.5.0=pyhd8ed1ab_0
- tk=8.6.12=h27826a3_0
- toml=0.10.2=pyhd3eb1b0_0
- torchaudio=0.11.0=py310_cu102
- torchmetrics=0.9.0=pyhd8ed1ab_0
- torchvision=0.12.0=py310_cu102
- tornado=6.1=py310h7f8727e_0
- tqdm=4.64.0=pyhd8ed1ab_0
- traitlets=5.1.1=pyhd3eb1b0_0
- typing-extensions=4.1.1=hd3eb1b0_0
- typing_extensions=4.1.1=pyh06a4308_0
- tzdata=2022a=h191b570_0
- unicodedata2=14.0.0=py310h5764c6d_1
- urllib3=1.26.9=py310h06a4308_0
- wandb=0.12.16=pyhd8ed1ab_0
- wcwidth=0.2.5=pyhd3eb1b0_0
- webencodings=0.5.1=py310h06a4308_1
- werkzeug=2.1.2=pyhd8ed1ab_1
- wheel=0.37.1=pyhd8ed1ab_0
- widgetsnbextension=3.5.2=py310h06a4308_0
- xcb-util=0.4.0=h166bdaf_0
- xcb-util-image=0.4.0=h166bdaf_0
- xcb-util-keysyms=0.4.0=h166bdaf_0
- xcb-util-renderutil=0.3.9=h166bdaf_0
- xcb-util-wm=0.4.1=h166bdaf_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
- yaml=0.2.5=h7f98852_2
- yarl=1.7.2=py310h5764c6d_2
- zeromq=4.3.4=h2531618_0
- zipp=3.8.0=pyhd8ed1ab_0
- zlib=1.2.12=h7f8727e_2
- zstd=1.5.2=ha95c52a_0
- pip:
- pdb-tools==2.5.0