-
Notifications
You must be signed in to change notification settings - Fork 177
/
requirements.txt
338 lines (338 loc) · 9.32 KB
/
requirements.txt
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
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
# This file may be used to create an environment using:
# $ conda create --name <env> --file <this file>
# platform: linux-64
_libgcc_mutex=0.1=conda_forge
_openmp_mutex=4.5=2_gnu
absl-py=0.15.0=pyhd3eb1b0_0
antlr4-python3-runtime=4.9.3=pypi_0
anyio=3.6.2=pyhd8ed1ab_0
appdirs=1.4.4=pyhd3eb1b0_0
argon2-cffi=21.3.0=pyhd3eb1b0_0
argon2-cffi-bindings=21.2.0=py39h7f8727e_0
arrow=1.3.0=pypi_0
asttokens=2.2.1=pyhd8ed1ab_0
astunparse=1.6.3=py_0
async-lru=2.0.4=pypi_0
attrs=22.2.0=pyh71513ae_0
babel=2.12.1=pyhd8ed1ab_1
backcall=0.2.0=pyhd3eb1b0_0
backports=1.0=pyhd3eb1b0_2
backports.functools_lru_cache=1.6.4=pyhd3eb1b0_0
backports.zoneinfo=0.2.1=py39hf3d152e_8
beautifulsoup4=4.12.0=py39h06a4308_0
binutils_impl_linux-64=2.40=hf600244_0
biopython=1.80=pypi_0
biotite=0.36.1=py39h389d5f1_0
blas=1.0=mkl
bleach=6.0.0=pyhd8ed1ab_0
blessed=1.20.0=pypi_0
blosc=1.21.3=h6a678d5_0
bottleneck=1.3.5=py39h7deecbd_0
brotli=1.0.9=h5eee18b_7
brotli-bin=1.0.9=h5eee18b_7
brotlipy=0.7.0=py39h27cfd23_1003
bzip2=1.0.8=h7b6447c_0
ca-certificates=2022.12.7=ha878542_0
certifi=2022.12.7=py39h06a4308_0
cffi=1.15.1=py39h5eee18b_3
charset-normalizer=2.0.4=pyhd3eb1b0_0
click=8.1.3=pypi_0
comm=0.1.3=pyhd8ed1ab_0
contextlib2=21.6.0=pypi_0
cryptography=38.0.4=py39h9ce1e76_0
cuda=11.6.1=0
cuda-cccl=11.6.55=hf6102b2_0
cuda-command-line-tools=11.6.2=0
cuda-compiler=11.6.2=0
cuda-cudart=11.6.55=he381448_0
cuda-cudart-dev=11.6.55=h42ad0f4_0
cuda-cuobjdump=11.6.124=h2eeebcb_0
cuda-cupti=11.6.124=h86345e5_0
cuda-cuxxfilt=11.6.124=hecbf4f6_0
cuda-driver-dev=11.6.55=0
cuda-gdb=12.0.140=0
cuda-libraries=11.6.1=0
cuda-libraries-dev=11.6.1=0
cuda-memcheck=11.8.86=0
cuda-nsight=12.0.140=0
cuda-nsight-compute=12.0.1=0
cuda-nvcc=11.6.124=hbba6d2d_0
cuda-nvdisasm=12.0.140=0
cuda-nvml-dev=11.6.55=haa9ef22_0
cuda-nvprof=12.0.146=0
cuda-nvprune=11.6.124=he22ec0a_0
cuda-nvrtc=11.6.124=h020bade_0
cuda-nvrtc-dev=11.6.124=h249d397_0
cuda-nvtx=11.6.124=h0630a44_0
cuda-nvvp=12.0.146=0
cuda-runtime=11.6.1=0
cuda-samples=11.6.101=h8efea70_0
cuda-sanitizer-api=12.0.140=0
cuda-toolkit=11.6.1=0
cuda-tools=11.6.1=0
cuda-visual-tools=11.6.1=0
cudatoolkit=10.2.89=h8f6ccaa_8
cycler=0.11.0=pyhd3eb1b0_0
debugpy=1.6.6=py39h227be39_0
decorator=5.1.1=pyhd3eb1b0_0
deepspeed=0.8.0=pypi_0
deeptime=0.4.4=pypi_0
defusedxml=0.7.1=pyhd3eb1b0_0
dm-tree=0.1.7=py39h6a678d5_1
docker-pycreds=0.4.0=pypi_0
einops=0.6.0=pyhd8ed1ab_0
entrypoints=0.4=py39h06a4308_0
executing=1.2.0=pyhd8ed1ab_0
fair-esm=2.0.0=pypi_0
fasteners=0.19=pypi_0
ffmpeg=4.3=hf484d3e_0
fftw=3.3.9=h27cfd23_1
flit-core=3.6.0=pyhd3eb1b0_0
fonttools=4.25.0=pyhd3eb1b0_0
fqdn=1.5.1=pypi_0
freetype=2.12.1=h4a9f257_0
gcc=12.2.0=h26027b1_13
gcc_impl_linux-64=12.2.0=hcc96c02_19
gds-tools=1.5.1.14=0
giflib=5.2.1=h5eee18b_3
gitdb=4.0.10=pypi_0
gitpython=3.1.30=pypi_0
gmp=6.2.1=h295c915_3
gnutls=3.6.15=he1e5248_0
gpustat=1.0.0=pypi_0
gputil=1.4.0=pypi_0
griddataformats=1.0.2=pypi_0
grpcio=1.64.0=pypi_0
h11=0.14.0=pypi_0
hdf5=1.10.6=hb1b8bf9_0
hjson=3.1.0=pypi_0
httpcore=1.0.5=pypi_0
httpx=0.27.0=pypi_0
hydra-core=1.3.1=pypi_0
hydra-joblib-launcher=1.2.0=pypi_0
idna=3.4=py39h06a4308_0
imageio=1.6=pypi_0
importlib-metadata=6.1.0=pyha770c72_0
importlib_metadata=6.1.0=hd8ed1ab_0
importlib_resources=5.12.0=pyhd8ed1ab_0
intel-openmp=2021.4.0=h06a4308_3561
ipdb=0.13.11=pyhd8ed1ab_0
ipykernel=6.22.0=pyh210e3f2_0
ipython=8.9.0=py39h06a4308_0
ipython_genutils=0.2.0=pyhd3eb1b0_1
ipywidgets=8.1.3=pypi_0
isoduration=20.11.0=pypi_0
jedi=0.18.2=pyhd8ed1ab_0
jinja2=3.1.2=py39h06a4308_0
joblib=1.2.0=pypi_0
jpeg=9e=h5eee18b_1
json5=0.9.5=py_0
jsonpointer=3.0.0=pypi_0
jsonschema=4.22.0=pypi_0
jsonschema-specifications=2023.12.1=pypi_0
jupyter-lsp=2.2.5=pypi_0
jupyter_client=8.1.0=py39h06a4308_0
jupyter_core=4.12.0=py39hf3d152e_0
jupyter_events=0.6.3=py39h06a4308_0
jupyter_server=2.5.0=py39h06a4308_0
jupyter_server_terminals=0.4.4=py39h06a4308_1
jupyterlab=4.2.3=pypi_0
jupyterlab-server=2.27.2=pypi_0
jupyterlab-widgets=3.0.11=pypi_0
jupyterlab_pygments=0.2.2=py39h06a4308_0
kaleido=0.2.1=pypi_0
kernel-headers_linux-64=2.6.32=he073ed8_17
kiwisolver=1.4.4=py39h6a678d5_0
lame=3.100=h7b6447c_0
lcms2=2.12=h3be6417_0
ld_impl_linux-64=2.40=h41732ed_0
lerc=3.0=h295c915_0
libblas=3.9.0=12_linux64_mkl
libbrotlicommon=1.0.9=h5eee18b_7
libbrotlidec=1.0.9=h5eee18b_7
libbrotlienc=1.0.9=h5eee18b_7
libcblas=3.9.0=12_linux64_mkl
libcublas=11.9.2.110=h5e84587_0
libcublas-dev=11.9.2.110=h5c901ab_0
libcufft=10.7.1.112=hf425ae0_0
libcufft-dev=10.7.1.112=ha5ce4c0_0
libcufile=1.5.1.14=0
libcufile-dev=1.5.1.14=0
libcurand=10.3.1.124=0
libcurand-dev=10.3.1.124=0
libcusolver=11.3.4.124=h33c3c4e_0
libcusparse=11.7.2.124=h7538f96_0
libcusparse-dev=11.7.2.124=hbbe9722_0
libdeflate=1.8=h7f8727e_5
libffi=3.4.2=h6a678d5_6
libgcc-devel_linux-64=12.2.0=h3b97bd3_19
libgcc-ng=12.2.0=h65d4601_19
libgfortran-ng=7.5.0=ha8ba4b0_17
libgfortran4=7.5.0=ha8ba4b0_17
libgomp=12.2.0=h65d4601_19
libiconv=1.16=h7f8727e_2
libidn2=2.3.2=h7f8727e_0
liblapack=3.9.0=12_linux64_mkl
libnpp=11.6.3.124=hd2722f0_0
libnpp-dev=11.6.3.124=h3c42840_0
libnvjpeg=11.6.2.124=hd473ad6_0
libnvjpeg-dev=11.6.2.124=hb5906b9_0
libpng=1.6.37=hbc83047_0
libsanitizer=12.2.0=h46fd767_19
libsodium=1.0.18=h7b6447c_0
libstdcxx-ng=12.2.0=h46fd767_19
libtasn1=4.16.0=h27cfd23_0
libtiff=4.5.0=h6a678d5_1
libunistring=0.9.10=h27cfd23_0
libuuid=1.41.5=h5eee18b_0
libwebp=1.2.4=h11a3e52_1
libwebp-base=1.2.4=h5eee18b_1
libzlib=1.2.13=hd590300_5
llvm-openmp=14.0.6=h9e868ea_0
lz4-c=1.9.4=h6a678d5_0
lzo=2.10=h7b6447c_2
markdown=3.6=pypi_0
markupsafe=2.1.2=py39h72bdee0_0
matplotlib-base=3.5.3=py39hf590b9c_0
matplotlib-inline=0.1.6=py39h06a4308_0
mda-xdrlib=0.2.0=pypi_0
mdanalysis=2.7.0=pypi_0
mdtraj=1.9.7=py39h62423bb_4
mistune=2.0.5=pyhd8ed1ab_0
mizani=0.8.1=pyhd8ed1ab_1
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
ml-collections=0.1.1=pypi_0
mmtf-python=1.1.3=pypi_0
mock=5.0.1=pyhd8ed1ab_0
moviepy=0.2.2.11=pypi_0
mrcfile=1.5.0=pypi_0
msgpack-python=1.0.3=py39hd09550d_0
munkres=1.1.4=py_0
nbclassic=0.5.3=py39h06a4308_0
nbclient=0.7.2=pyhd8ed1ab_0
nbconvert=7.2.9=pyhd8ed1ab_0
nbconvert-core=7.2.9=pyhd8ed1ab_0
nbconvert-pandoc=7.2.9=pyhd8ed1ab_0
nbformat=5.8.0=pyhd8ed1ab_0
ncurses=6.4=h6a678d5_0
nest-asyncio=1.5.6=py39h06a4308_0
nettle=3.7.3=hbbd107a_1
networkx=3.0=pyhd8ed1ab_0
nglview=3.1.2=pypi_0
ninja=1.11.1=pypi_0
notebook=7.2.1=pypi_0
notebook-shim=0.2.2=py39h06a4308_0
nsight-compute=2022.4.1.6=0
numexpr=2.8.4=py39he184ba9_0
numpy=1.22.4=pypi_0
nvidia-ml-py=11.495.46=pypi_0
ocl-icd=2.3.1=h7f98852_0
ocl-icd-system=1.0.0=1
omegaconf=2.3.0=pypi_0
openh264=2.1.1=h4ff587b_0
openmm=8.0.0=py39h31b9435_1
openssl=1.1.1t=h7f8727e_0
packaging=23.0=py39h06a4308_0
palettable=3.3.0=pyhd3eb1b0_0
pandas=1.5.2=py39h417a72b_0
pandoc=3.1.1=h32600fe_0
pandocfilters=1.5.0=pyhd3eb1b0_0
parso=0.8.3=pyhd3eb1b0_0
pathtools=0.1.2=pypi_0
patsy=0.5.3=py39h06a4308_0
pdbfixer=1.8.1=pyh6c4a22f_0
pexpect=4.8.0=pyhd3eb1b0_3
pickleshare=0.7.5=pyhd3eb1b0_1003
pillow=9.3.0=py39h6a678d5_2
pip=22.3.1=py39h06a4308_0
pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1
plotly=5.22.0=pypi_0
plotnine=0.10.1=pyhd8ed1ab_2
pooch=1.4.0=pyhd3eb1b0_0
prometheus_client=0.16.0=pyhd8ed1ab_0
prompt-toolkit=3.0.36=py39h06a4308_0
protobuf=4.21.12=pypi_0
psutil=5.9.4=py39hb9d737c_0
ptyprocess=0.7.0=pyhd3eb1b0_2
pure_eval=0.2.2=pyhd3eb1b0_0
py-cpuinfo=9.0.0=pypi_0
pycparser=2.21=pyhd3eb1b0_0
pydantic=1.10.4=pypi_0
pygments=2.14.0=pyhd8ed1ab_0
pyopenssl=22.0.0=pyhd3eb1b0_0
pyparsing=3.0.9=py39h06a4308_0
pyrsistent=0.19.3=py39hd1e30aa_1
pysocks=1.7.1=py39h06a4308_0
pytables=3.7.0=py39hf19a122_1
python=3.9.16=h7a1cb2a_2
python-dateutil=2.8.2=pyhd3eb1b0_0
python-fastjsonschema=2.16.3=pyhd8ed1ab_0
python-json-logger=2.0.7=py39h06a4308_0
python_abi=3.9=2_cp39
pytorch=1.13.1=py3.9_cuda11.6_cudnn8.3.2_0
pytorch-cuda=11.6=h867d48c_1
pytorch-mutex=1.0=cuda
pytz=2022.7=py39h06a4308_0
pyyaml=6.0.1=py39h5eee18b_0
pyzmq=25.0.2=py39h6a678d5_0
readline=8.2=h5eee18b_0
referencing=0.35.1=pypi_0
requests=2.32.3=pypi_0
rfc3339-validator=0.1.4=py39h06a4308_0
rfc3986-validator=0.1.1=py39h06a4308_0
rpds-py=0.18.1=pypi_0
scikit-learn=1.2.1=pypi_0
scipy=1.13.1=pypi_0
seaborn=0.12.2=py39h06a4308_0
send2trash=1.8.0=pyhd3eb1b0_1
sentry-sdk=1.15.0=pypi_0
setproctitle=1.3.2=pypi_0
setuptools=65.6.3=py39h06a4308_0
six=1.16.0=pyhd3eb1b0_1
smmap=5.0.0=pypi_0
snappy=1.1.9=h295c915_0
sniffio=1.3.0=pyhd8ed1ab_0
soupsieve=2.3.2.post1=py39h06a4308_0
sqlite=3.40.1=h5082296_0
stack_data=0.6.2=pyhd8ed1ab_0
statsmodels=0.13.5=py39h7deecbd_1
sysroot_linux-64=2.12=he073ed8_17
tenacity=8.4.2=pypi_0
tensorboard=2.16.2=pypi_0
tensorboard-data-server=0.7.2=pypi_0
terminado=0.17.1=py39h06a4308_0
threadpoolctl=3.1.0=pypi_0
tinycss2=1.2.1=py39h06a4308_0
tk=8.6.12=h1ccaba5_0
tmtools=0.0.2=pypi_0
toml=0.10.2=pyhd3eb1b0_0
tomli=2.0.1=py39h06a4308_0
torch-kmeans=0.2.0=pypi_0
torchaudio=0.13.1=py39_cu116
torchvision=0.14.1=py39_cu116
tornado=6.2=py39h5eee18b_0
tqdm=4.64.1=pypi_0
traitlets=5.9.0=pyhd8ed1ab_0
types-python-dateutil=2.9.0.20240316=pypi_0
typing-extensions=4.4.0=py39h06a4308_0
typing_extensions=4.4.0=py39h06a4308_0
tzdata=2022g=h04d1e81_0
uri-template=1.3.0=pypi_0
urllib3=1.26.14=py39h06a4308_0
wandb=0.13.10=pypi_0
wcwidth=0.2.6=pyhd8ed1ab_0
webcolors=24.6.0=pypi_0
webencodings=0.5.1=py39h06a4308_1
websocket-client=1.5.1=pyhd8ed1ab_0
werkzeug=3.0.3=pypi_0
wheel=0.37.1=pyhd3eb1b0_0
widgetsnbextension=4.0.11=pypi_0
xz=5.2.10=h5eee18b_1
yaml=0.2.5=h7b6447c_0
zeromq=4.3.4=h2531618_0
zipp=3.15.0=pyhd8ed1ab_0
zlib=1.2.13=hd590300_5
zstd=1.5.2=ha4553b6_0