forked from Paulther/BioHack-Project-Walkthrough
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathenvironment.yml
298 lines (298 loc) · 9.52 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
name: BioHack_Minimal
channels:
- pyg
- bioconda
- pytorch
- schrodinger
- https://levinthal:paradox@conda.graylab.jhu.edu
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- _sysroot_linux-64_curr_repodata_hack=3=h69a702a_14
- aiohttp=3.9.3=py312h98912ed_1
- aiosignal=1.3.1=pyhd8ed1ab_0
- alsa-lib=1.2.11=hd590300_1
- aom=3.8.2=h59595ed_0
- apbs=1.5=hd8ae8d1_0
- aria2=1.37.0=h347180d_1
- attr=2.5.1=h166bdaf_1
- attrs=23.2.0=pyh71513ae_0
- biopython=1.83=py312h98912ed_0
- blas=1.0=mkl
- blosc=1.21.5=h0f2a231_0
- brotli=1.1.0=hd590300_1
- brotli-bin=1.1.0=hd590300_1
- brotli-python=1.1.0=py312h30efb56_1
- bzip2=1.0.8=hd590300_5
- c-ares=1.28.1=hd590300_0
- ca-certificates=2024.2.2=hbcca054_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- cairo=1.18.0=h3faef2a_0
- certifi=2024.2.2=pyhd8ed1ab_0
- chardet=5.2.0=py312h7900ff3_1
- charset-normalizer=3.3.2=pyhd8ed1ab_0
- collada2gltf=2.1.4=h6bb024c_0
- colorama=0.4.6=pyhd8ed1ab_0
- contourpy=1.2.0=py312h8572e83_0
- cpuonly=2.0=0
- cycler=0.12.1=pyhd8ed1ab_0
- dav1d=1.2.1=hd590300_0
- dbus=1.13.6=h5008d03_3
- expat=2.6.2=h59595ed_0
- ffmpeg=6.1.1=gpl_h38e077a_106
- filelock=3.13.3=pyhd8ed1ab_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=h77eed37_1
- fontconfig=2.14.2=h14ed4e7_0
- fonts-conda-ecosystem=1=0
- fonts-conda-forge=1=0
- fonttools=4.50.0=py312h98912ed_0
- freetype=2.12.1=h267a509_2
- freetype-py=2.3.0=pyhd8ed1ab_0
- fribidi=1.0.10=h36c2ea0_0
- frozenlist=1.4.1=py312h98912ed_0
- fsspec=2024.3.1=pyhca7485f_0
- gawk=5.3.0=ha916aea_0
- gettext=0.21.1=h27087fc_0
- glew=2.1.0=h9c3ff4c_2
- glib=2.80.0=hf2295e7_1
- glib-tools=2.80.0=hde27a5a_1
- gmp=6.3.0=h59595ed_1
- gnutls=3.7.9=hb077bed_0
- graphite2=1.3.13=h59595ed_1003
- greenlet=3.0.3=py312h30efb56_0
- gst-plugins-base=1.22.9=hfa15dee_1
- gstreamer=1.22.9=h98fc4e7_1
- h5py=3.10.0=nompi_py312h1b477d7_101
- harfbuzz=8.3.0=h3d44ed6_0
- hdf4=4.2.15=h2a13503_7
- hdf5=1.14.3=nompi_h4f84152_100
- icu=73.2=h59595ed_0
- idna=3.6=pyhd8ed1ab_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- jinja2=3.1.3=pyhd8ed1ab_0
- joblib=1.3.2=pyhd8ed1ab_0
- kernel-headers_linux-64=3.10.0=h4a8ded7_14
- keyutils=1.6.1=h166bdaf_0
- kiwisolver=1.4.5=py312h8572e83_1
- krb5=1.21.2=h659d440_0
- lame=3.100=h166bdaf_1003
- lcms2=2.16=hb7c19ff_0
- ld_impl_linux-64=2.40=h41732ed_0
- lerc=4.0.0=h27087fc_0
- libabseil=20240116.1=cxx17_h59595ed_2
- libaec=1.1.3=h59595ed_0
- libass=0.17.1=h8fe9dca_1
- libblas=3.9.0=1_h86c2bf4_netlib
- libboost=1.84.0=h8013b2b_2
- libboost-python=1.84.0=py312hfb10629_2
- libbrotlicommon=1.1.0=hd590300_1
- libbrotlidec=1.1.0=hd590300_1
- libbrotlienc=1.1.0=hd590300_1
- libcap=2.69=h0f662aa_0
- libcblas=3.9.0=5_h92ddd45_netlib
- libclang-cpp15=15.0.7=default_h127d8a8_5
- libclang13=18.1.2=default_h5d6823c_1
- libcups=2.3.3=h4637d8d_4
- libcurl=8.7.1=hca28451_0
- libdeflate=1.20=hd590300_0
- libdrm=2.4.120=hd590300_0
- libdrm-cos7-x86_64=2.4.97=h9b0a68f_1105
- libedit=3.1.20191231=he28a2e2_2
- libev=4.33=hd590300_2
- libevent=2.1.12=hf998b51_1
- libexpat=2.6.2=h59595ed_0
- libffi=3.4.2=h7f98852_5
- libflac=1.4.3=h59595ed_0
- libgcc-ng=13.2.0=h807b86a_5
- libgcrypt=1.10.3=hd590300_0
- libgfortran-ng=13.2.0=h69a702a_5
- libgfortran5=13.2.0=ha4646dd_5
- libglib=2.80.0=hf2295e7_1
- libglu=9.0.0=hac7e632_1003
- libglvnd-cos7-x86_64=1.0.1=h9b0a68f_1105
- libglvnd-glx-cos7-x86_64=1.0.1=h9b0a68f_1105
- libgomp=13.2.0=h807b86a_5
- libgpg-error=1.48=h71f35ed_0
- libholoplaycore=0.1.0_rc4=1
- libhwloc=2.9.3=default_h554bfaf_1009
- libiconv=1.17=hd590300_2
- libidn2=2.3.7=hd590300_0
- libjpeg-turbo=3.0.0=hd590300_1
- liblapack=3.9.0=5_h92ddd45_netlib
- libllvm15=15.0.7=hb3ce162_4
- libllvm18=18.1.2=h2448989_0
- libnetcdf=4.9.2=nompi_h9612171_113
- libnghttp2=1.58.0=h47da74e_1
- libnsl=2.0.1=hd590300_0
- libogg=1.3.4=h7f98852_1
- libopenblas=0.3.26=pthreads_h413a1c8_0
- libopenvino=2024.0.0=h2e90f83_4
- libopenvino-auto-batch-plugin=2024.0.0=hd5fc58b_4
- libopenvino-auto-plugin=2024.0.0=hd5fc58b_4
- libopenvino-hetero-plugin=2024.0.0=h3ecfda7_4
- libopenvino-intel-cpu-plugin=2024.0.0=h2e90f83_4
- libopenvino-intel-gpu-plugin=2024.0.0=h2e90f83_4
- libopenvino-ir-frontend=2024.0.0=h3ecfda7_4
- libopenvino-onnx-frontend=2024.0.0=h757c851_4
- libopenvino-paddle-frontend=2024.0.0=h757c851_4
- libopenvino-pytorch-frontend=2024.0.0=h59595ed_4
- libopenvino-tensorflow-frontend=2024.0.0=hca94c1a_4
- libopenvino-tensorflow-lite-frontend=2024.0.0=h59595ed_4
- libopus=1.3.1=h7f98852_1
- libpciaccess=0.18=hd590300_0
- libpng=1.6.43=h2797004_0
- libpq=16.2=h33b98f1_1
- libprotobuf=4.25.3=h08a7969_0
- libsndfile=1.2.2=hc60ed4a_1
- libsqlite=3.45.2=h2797004_0
- libssh2=1.11.0=h0841786_0
- libstdcxx-ng=13.2.0=h7e041cc_5
- libsystemd0=255=h3516f8a_1
- libtasn1=4.19.0=h166bdaf_0
- libtiff=4.6.0=h1dd3fc0_3
- libunistring=0.9.10=h7f98852_0
- libuuid=2.38.1=h0b41bf4_0
- libva=2.21.0=hd590300_0
- libvorbis=1.3.7=h9c3ff4c_0
- libvpx=1.14.0=h59595ed_0
- libwebp-base=1.3.2=hd590300_0
- libxcb=1.15=h0b41bf4_0
- libxcrypt=4.4.36=hd590300_1
- libxkbcommon=1.7.0=h662e7e4_0
- libxml2=2.12.6=h232c23b_1
- libzip=1.10.1=h2629f0a_3
- libzlib=1.2.13=hd590300_5
- llvm-openmp=8.0.1=hc9558a2_0
- lz4-c=1.9.4=hcb278e6_0
- markupsafe=2.1.5=py312h98912ed_0
- matplotlib=3.8.3=py312h7900ff3_0
- matplotlib-base=3.8.3=py312he5832f3_0
- mengine=1=h14c3975_1
- mesa-libgl-cos7-x86_64=18.3.4=h9b0a68f_1105
- mesa-libglapi-cos7-x86_64=18.3.4=h9b0a68f_1105
- mkl=2023.1.0=h213fc3f_46344
- mmcif_pdbx=2.0.1=pyhd8ed1ab_0
- mmseqs2=15.6f452=pl5321h6a68c12_1
- mpeg_encode=1=h14c3975_1
- mpfr=4.2.1=h9458935_0
- mpg123=1.32.4=h59595ed_0
- mpmath=1.3.0=pyhd8ed1ab_0
- mtz2ccp4_px=1.1=h3218e01_0
- multidict=6.0.5=py312h98912ed_0
- munkres=1.1.4=pyh9f0ad1d_0
- mysql-common=8.3.0=hf1915f5_4
- mysql-libs=8.3.0=hca2cd23_4
- ncurses=6.4.20240210=h59595ed_0
- nettle=3.9.1=h7ab15ed_0
- networkx=3.2.1=pyhd8ed1ab_0
- nspr=4.35=h27087fc_0
- nss=3.98=h1d7d5a4_0
- numpy=1.26.4=py312heda63a1_0
- ocl-icd=2.3.2=hd590300_1
- openh264=2.4.1=h59595ed_0
- openjpeg=2.5.2=h488ebb8_0
- openssl=3.2.1=hd590300_1
- p11-kit=0.24.1=hc5aa10d_0
- packaging=24.0=pyhd8ed1ab_0
- pandas=2.2.1=py312hfb8ada1_0
- pcre2=10.43=hcad00b1_0
- pdb2pqr=3.6.1=pyhd8ed1ab_0
- perl=5.32.1=7_hd590300_perl5
- pillow=10.2.0=py312hf3581a9_0
- pip=24.0=pyhd8ed1ab_0
- pixman=0.43.2=h59595ed_0
- ply=3.11=py_1
- pmw=2.0.1=py312h7900ff3_1008
- propka=3.5.1=pyhc1e730c_1
- psutil=5.9.8=py312h98912ed_0
- pthread-stubs=0.4=h36c2ea0_1001
- pugixml=1.14=h59595ed_0
- pulseaudio-client=17.0=hb77b528_0
- pycairo=1.26.0=py312he48a392_0
- pycollada=0.8=pyhd8ed1ab_0
- pyg=2.5.2=py312_torch_2.2.0_cpu
- pykerberos=1.2.4=py312h55de72e_5
- pymol=3.0.0=py312h2dc6bc7_0
- pymol-bundle=3.0.0=1
- pymol-web-examples=2.4=1
- pyparsing=3.1.2=pyhd8ed1ab_0
- pyqt=5.15.9=py312h949fe66_5
- pyqt5-sip=12.12.2=py312h30efb56_5
- pysocks=1.7.1=pyha2e5f31_6
- python=3.12.2=hab00c5b_0_cpython
- python-dateutil=2.9.0=pyhd8ed1ab_0
- python-tzdata=2024.1=pyhd8ed1ab_0
- python_abi=3.12=4_cp312
- pytorch=2.2.2=py3.12_cpu_0
- pytorch-mutex=1.0=cpu
- pytz=2024.1=pyhd8ed1ab_0
- pyyaml=6.0.1=py312h98912ed_1
- qt-main=5.15.8=h112747c_20
- rdkit=2024.03.1=py312h93d94ad_0
- readline=8.2=h8228510_1
- reportlab=4.1.0=py312h98912ed_0
- requests=2.31.0=pyhd8ed1ab_0
- rigimol=1.3=2
- rlpycairo=0.2.0=pyhd8ed1ab_0
- scikit-learn=1.4.1.post1=py312h394d371_0
- scipy=1.12.0=py312heda63a1_2
- setuptools=69.2.0=pyhd8ed1ab_0
- sip=6.7.12=py312h30efb56_0
- six=1.16.0=pyh6c4a22f_0
- snappy=1.1.10=h9fff704_0
- sqlalchemy=2.0.29=py312h98912ed_0
- svt-av1=1.8.0=h59595ed_0
- sympy=1.12=pyh04b8f61_3
- sysroot_linux-64=2.17=h4a8ded7_14
- tbb=2021.11.0=h00ab1b0_1
- threadpoolctl=3.4.0=pyhc1e730c_0
- tk=8.6.13=noxft_h4845f30_101
- toml=0.10.2=pyhd8ed1ab_0
- tomli=2.0.1=pyhd8ed1ab_0
- torchaudio=2.2.2=py312_cpu
- torchvision=0.17.2=py312_cpu
- tornado=6.4=py312h98912ed_0
- tqdm=4.66.2=pyhd8ed1ab_0
- typing-extensions=4.10.0=hd8ed1ab_0
- typing_extensions=4.10.0=pyha770c72_0
- tzdata=2024a=h0c530f3_0
- urllib3=2.2.1=pyhd8ed1ab_0
- vtk-m=1.8.0=h3fd9d12_2
- wget=1.21.4=hda4d442_0
- wheel=0.43.0=pyhd8ed1ab_1
- x264=1!164.3095=h166bdaf_2
- x265=3.5=h924138e_3
- xcb-util=0.4.0=hd590300_1
- xcb-util-image=0.4.0=h8ee46fc_1
- xcb-util-keysyms=0.4.0=h8ee46fc_1
- xcb-util-renderutil=0.3.9=hd590300_1
- xcb-util-wm=0.4.1=h8ee46fc_1
- xkeyboard-config=2.41=hd590300_0
- xorg-fixesproto=5.0=h7f98852_1002
- xorg-kbproto=1.0.7=h7f98852_1002
- xorg-libice=1.1.1=hd590300_0
- xorg-libsm=1.2.4=h7391055_0
- xorg-libx11=1.8.7=h8ee46fc_0
- xorg-libxau=1.0.11=hd590300_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xorg-libxext=1.3.4=h0b41bf4_2
- xorg-libxfixes=5.0.3=h7f98852_1004
- xorg-libxrender=0.9.11=hd590300_0
- xorg-renderproto=0.11.1=h7f98852_1002
- xorg-xextproto=7.3.0=h0b41bf4_1003
- xorg-xf86vidmodeproto=2.3.1=h7f98852_1002
- xorg-xproto=7.0.31=h7f98852_1007
- xz=5.2.6=h166bdaf_0
- yaml=0.2.5=h7f98852_2
- yarl=1.9.4=py312h98912ed_0
- zlib=1.2.13=hd590300_5
- zstd=1.5.5=hfc55251_0
- pip:
- blosum==2.0.3
prefix: /home/paul/miniconda3/envs/minimal