-
Notifications
You must be signed in to change notification settings - Fork 4
/
Copy pathenvironment_abfe.yml
511 lines (511 loc) · 17.3 KB
/
environment_abfe.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
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
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
name: FEP-SPell-ABFE
channels:
- defaults
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/conda-forge/
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/omnia
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/pytorch/
dependencies:
- _anaconda_depends=2024.06=py312_mkl_2
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- abseil-cpp=20211102.0=hd4dd3e8_0
- aiobotocore=2.12.3=py312h06a4308_0
- aiohttp=3.9.5=py312h5eee18b_0
- aioitertools=0.7.1=pyhd3eb1b0_0
- aiosignal=1.2.0=pyhd3eb1b0_0
- alabaster=0.7.16=py312h06a4308_0
- altair=5.0.1=py312h06a4308_0
- anaconda-catalogs=0.2.0=py312h06a4308_1
- annotated-types=0.6.0=py312h06a4308_0
- anyio=4.2.0=py312h06a4308_0
- aom=3.6.0=h6a678d5_0
- appdirs=1.4.4=pyhd3eb1b0_0
- archspec=0.2.3=pyhd3eb1b0_0
- argon2-cffi=21.3.0=pyhd3eb1b0_0
- argon2-cffi-bindings=21.2.0=py312h5eee18b_0
- arrow=1.2.3=py312h06a4308_1
- arrow-cpp=14.0.2=h374c478_1
- astroid=2.14.2=py312h06a4308_0
- astropy=6.1.0=py312ha883a20_0
- astropy-iers-data=0.2024.6.3.0.31.14=py312h06a4308_0
- asttokens=2.0.5=pyhd3eb1b0_0
- async-lru=2.0.4=py312h06a4308_0
- atomicwrites=1.4.0=py_0
- attrs=23.1.0=py312h06a4308_0
- automat=20.2.0=py_0
- autopep8=2.0.4=pyhd3eb1b0_0
- aws-c-auth=0.6.19=h5eee18b_0
- aws-c-cal=0.5.20=hdbd6064_0
- aws-c-common=0.8.5=h5eee18b_0
- aws-c-compression=0.2.16=h5eee18b_0
- aws-c-event-stream=0.2.15=h6a678d5_0
- aws-c-http=0.6.25=h5eee18b_0
- aws-c-io=0.13.10=h5eee18b_0
- aws-c-mqtt=0.7.13=h5eee18b_0
- aws-c-s3=0.1.51=hdbd6064_0
- aws-c-sdkutils=0.1.6=h5eee18b_0
- aws-checksums=0.1.13=h5eee18b_0
- aws-crt-cpp=0.18.16=h6a678d5_0
- aws-sdk-cpp=1.10.55=h721c034_0
- babel=2.11.0=py312h06a4308_0
- bcrypt=3.2.0=py312h5eee18b_1
- beautifulsoup4=4.12.3=py312h06a4308_0
- binaryornot=0.4.4=pyhd3eb1b0_1
- black=24.4.2=py312h06a4308_0
- blas=1.0=mkl
- bleach=4.1.0=pyhd3eb1b0_0
- blinker=1.6.2=py312h06a4308_0
- blosc=1.21.3=h6a678d5_0
- bokeh=3.4.1=py312he106c6f_0
- boltons=23.0.0=py312h06a4308_0
- boost-cpp=1.82.0=hdb19cb5_2
- botocore=1.34.69=py312h06a4308_0
- bottleneck=1.3.7=py312ha883a20_0
- brotli=1.0.9=h5eee18b_8
- brotli-bin=1.0.9=h5eee18b_8
- brotli-python=1.0.9=py312h6a678d5_8
- brunsli=0.1=h2531618_0
- bzip2=1.0.8=h5eee18b_6
- c-ares=1.19.1=h5eee18b_0
- c-blosc2=2.12.0=h80c7b02_0
- ca-certificates=2024.3.11=h06a4308_0
- cachetools=5.3.3=py312h06a4308_0
- certifi=2024.6.2=py312h06a4308_0
- cffi=1.16.0=py312h5eee18b_1
- cfitsio=3.470=h5893167_7
- chardet=4.0.0=py312h06a4308_1003
- charls=2.2.0=h2531618_0
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- click=8.1.7=py312h06a4308_0
- cloudpickle=2.2.1=py312h06a4308_0
- colorama=0.4.6=py312h06a4308_0
- colorcet=3.1.0=py312h06a4308_0
- comm=0.2.1=py312h06a4308_0
- conda-content-trust=0.2.0=py312h06a4308_1
- conda-pack=0.7.1=py312h06a4308_0
- conda-package-handling=2.3.0=py312h06a4308_0
- conda-package-streaming=0.10.0=py312h06a4308_0
- conda-repo-cli=1.0.88=py312h06a4308_0
- constantly=23.10.4=py312h06a4308_0
- contourpy=1.2.0=py312hdb19cb5_0
- cookiecutter=2.6.0=py312h06a4308_0
- cryptography=42.0.5=py312hdda0065_1
- cssselect=1.2.0=py312h06a4308_0
- curl=8.7.1=hdbd6064_0
- cycler=0.11.0=pyhd3eb1b0_0
- cyrus-sasl=2.1.28=h52b45da_1
- cytoolz=0.12.2=py312h5eee18b_0
- dask=2024.5.0=py312h06a4308_0
- dask-core=2024.5.0=py312h06a4308_0
- dask-expr=1.1.0=py312h06a4308_0
- datashader=0.16.2=py312h06a4308_0
- dav1d=1.2.1=h5eee18b_0
- dbus=1.13.18=hb2f20db_0
- debugpy=1.6.7=py312h6a678d5_0
- decorator=5.1.1=pyhd3eb1b0_0
- defusedxml=0.7.1=pyhd3eb1b0_0
- diff-match-patch=20200713=pyhd3eb1b0_0
- dill=0.3.8=py312h06a4308_0
- distributed=2024.5.0=py312h06a4308_0
- distro=1.9.0=py312h06a4308_0
- docstring-to-markdown=0.11=py312h06a4308_0
- docutils=0.18.1=py312h06a4308_3
- entrypoints=0.4=py312h06a4308_0
- et_xmlfile=1.1.0=py312h06a4308_1
- executing=0.8.3=pyhd3eb1b0_0
- expat=2.6.2=h6a678d5_0
- filelock=3.13.1=py312h06a4308_0
- flake8=7.0.0=py312h06a4308_0
- flask=3.0.3=py312h06a4308_0
- fmt=9.1.0=hdb19cb5_1
- fontconfig=2.14.1=h4c34cd2_2
- fonttools=4.51.0=py312h5eee18b_0
- freetype=2.12.1=h4a9f257_0
- frozendict=2.4.2=py312h06a4308_0
- frozenlist=1.4.0=py312h5eee18b_0
- fsspec=2024.3.1=py312h06a4308_0
- gensim=4.3.2=py312h526ad5a_0
- gflags=2.2.2=h6a678d5_1
- giflib=5.2.1=h5eee18b_3
- gitdb=4.0.7=pyhd3eb1b0_0
- gitpython=3.1.37=py312h06a4308_0
- glib=2.78.4=h6a678d5_0
- glib-tools=2.78.4=h6a678d5_0
- glog=0.5.0=h6a678d5_1
- greenlet=3.0.1=py312h6a678d5_0
- grpc-cpp=1.48.2=he1ff14a_1
- gst-plugins-base=1.14.1=h6a678d5_1
- gstreamer=1.14.1=h5eee18b_1
- h5py=3.11.0=py312h34c39bb_0
- hdf5=1.12.1=h2b7332f_3
- heapdict=1.0.1=pyhd3eb1b0_0
- holoviews=1.19.0=py312h06a4308_0
- hvplot=0.10.0=py312h06a4308_0
- hyperlink=21.0.0=pyhd3eb1b0_0
- icu=73.1=h6a678d5_0
- idna=3.7=py312h06a4308_0
- imagecodecs=2023.1.23=py312h81b8100_1
- imageio=2.33.1=py312h06a4308_0
- imagesize=1.4.1=py312h06a4308_0
- imbalanced-learn=0.12.3=py312h06a4308_1
- importlib-metadata=7.0.1=py312h06a4308_0
- incremental=22.10.0=pyhd3eb1b0_0
- inflection=0.5.1=py312h06a4308_1
- iniconfig=1.1.1=pyhd3eb1b0_0
- intake=0.7.0=py312h06a4308_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- intervaltree=3.1.0=pyhd3eb1b0_0
- ipykernel=6.28.0=py312h06a4308_0
- ipython=8.25.0=py312h06a4308_0
- ipython_genutils=0.2.0=pyhd3eb1b0_1
- ipywidgets=7.8.1=py312h06a4308_0
- isort=5.13.2=py312h06a4308_0
- itemadapter=0.3.0=pyhd3eb1b0_0
- itemloaders=1.1.0=py312h06a4308_0
- itsdangerous=2.2.0=py312h06a4308_0
- jaraco.classes=3.2.1=pyhd3eb1b0_0
- jedi=0.18.1=py312h06a4308_1
- jeepney=0.7.1=pyhd3eb1b0_0
- jellyfish=1.0.1=py312hb02cf49_0
- jinja2=3.1.4=py312h06a4308_0
- jmespath=1.0.1=py312h06a4308_0
- joblib=1.4.2=py312h06a4308_0
- jpeg=9e=h5eee18b_1
- jq=1.6=h27cfd23_1000
- json5=0.9.6=pyhd3eb1b0_0
- jsonpatch=1.33=py312h06a4308_1
- jsonpointer=2.1=pyhd3eb1b0_0
- jsonschema=4.19.2=py312h06a4308_0
- jsonschema-specifications=2023.7.1=py312h06a4308_0
- jupyter=1.0.0=py312h06a4308_9
- jupyter-lsp=2.2.0=py312h06a4308_0
- jupyter_client=8.6.0=py312h06a4308_0
- jupyter_console=6.6.3=py312h06a4308_1
- jupyter_core=5.7.2=py312h06a4308_0
- jupyter_events=0.10.0=py312h06a4308_0
- jupyter_server=2.14.1=py312h06a4308_0
- jupyter_server_terminals=0.4.4=py312h06a4308_1
- jupyterlab=4.0.11=py312h06a4308_0
- jupyterlab-variableinspector=3.1.0=py312h06a4308_0
- jupyterlab_pygments=0.1.2=py_0
- jupyterlab_server=2.25.1=py312h06a4308_0
- jupyterlab_widgets=1.0.0=pyhd3eb1b0_1
- jxrlib=1.1=h7b6447c_2
- keyring=24.3.1=py312h06a4308_0
- kiwisolver=1.4.4=py312h6a678d5_0
- krb5=1.20.1=h143b758_1
- lazy-object-proxy=1.10.0=py312h5eee18b_0
- lazy_loader=0.4=py312h06a4308_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libaec=1.0.4=he6710b0_1
- libarchive=3.6.2=h6ac8c49_3
- libavif=0.11.1=h5eee18b_0
- libboost=1.82.0=h109eef0_2
- libbrotlicommon=1.0.9=h5eee18b_8
- libbrotlidec=1.0.9=h5eee18b_8
- libbrotlienc=1.0.9=h5eee18b_8
- libclang=14.0.6=default_hc6dbbc7_1
- libclang13=14.0.6=default_he11475f_1
- libcups=2.4.2=h2d74bed_1
- libcurl=8.7.1=h251f7ec_0
- libdeflate=1.17=h5eee18b_1
- libedit=3.1.20230828=h5eee18b_0
- libev=4.33=h7f8727e_1
- libevent=2.1.12=hdbd6064_1
- libffi=3.4.4=h6a678d5_1
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libglib=2.78.4=hdc74915_0
- libgomp=11.2.0=h1234567_1
- libiconv=1.16=h5eee18b_3
- liblief=0.12.3=h6a678d5_0
- libllvm14=14.0.6=hdb19cb5_3
- libmamba=1.5.8=hfe524e5_2
- libmambapy=1.5.8=py312h2dafd23_2
- libnghttp2=1.57.0=h2d74bed_0
- libpng=1.6.39=h5eee18b_0
- libpq=12.17=hdbd6064_0
- libprotobuf=3.20.3=he621ea3_0
- libsodium=1.0.18=h7b6447c_0
- libsolv=0.7.24=he621ea3_1
- libspatialindex=1.9.3=h2531618_0
- libssh2=1.11.0=h251f7ec_0
- libstdcxx-ng=11.2.0=h1234567_1
- libthrift=0.15.0=h1795dd8_2
- libtiff=4.5.1=h6a678d5_0
- libuuid=1.41.5=h5eee18b_0
- libwebp-base=1.3.2=h5eee18b_0
- libxcb=1.15=h7f8727e_0
- libxkbcommon=1.0.1=h5eee18b_1
- libxml2=2.10.4=hfdd30dd_2
- libxslt=1.1.37=h5eee18b_1
- libzopfli=1.0.3=he6710b0_0
- linkify-it-py=2.0.0=py312h06a4308_0
- llvmlite=0.42.0=py312h6a678d5_0
- locket=1.0.0=py312h06a4308_0
- lxml=5.2.1=py312hdbbb534_0
- lz4=4.3.2=py312h5eee18b_0
- lz4-c=1.9.4=h6a678d5_1
- lzo=2.10=h7b6447c_2
- markdown=3.4.1=py312h06a4308_0
- markdown-it-py=2.2.0=py312h06a4308_1
- markupsafe=2.1.3=py312h5eee18b_0
- matplotlib=3.8.4=py312h06a4308_0
- matplotlib-base=3.8.4=py312h526ad5a_0
- matplotlib-inline=0.1.6=py312h06a4308_0
- mccabe=0.7.0=pyhd3eb1b0_0
- mdit-py-plugins=0.3.0=py312h06a4308_0
- mdurl=0.1.0=py312h06a4308_0
- menuinst=2.1.1=py312h06a4308_0
- mistune=2.0.4=py312h06a4308_0
- mkl=2023.1.0=h213fc3f_46344
- mkl-service=2.4.0=py312h5eee18b_1
- mkl_fft=1.3.8=py312h5eee18b_0
- mkl_random=1.2.4=py312hdb19cb5_0
- more-itertools=10.1.0=py312h06a4308_0
- mpmath=1.3.0=py312h06a4308_0
- msgpack-python=1.0.3=py312hdb19cb5_0
- multidict=6.0.4=py312h5eee18b_0
- multipledispatch=0.6.0=py312h06a4308_0
- mypy=1.10.0=py312h5eee18b_0
- mypy_extensions=1.0.0=py312h06a4308_0
- mysql=5.7.24=h721c034_2
- nbclient=0.8.0=py312h06a4308_0
- nbconvert=7.10.0=py312h06a4308_0
- nbformat=5.9.2=py312h06a4308_0
- ncurses=6.4=h6a678d5_0
- nest-asyncio=1.6.0=py312h06a4308_0
- networkx=3.2.1=py312h06a4308_0
- nltk=3.8.1=py312h06a4308_0
- notebook=7.0.8=py312h06a4308_0
- notebook-shim=0.2.3=py312h06a4308_0
- nspr=4.35=h6a678d5_0
- nss=3.89.1=h6a678d5_0
- numba=0.59.1=py312h526ad5a_0
- numexpr=2.8.7=py312hf827012_0
- numpy=1.26.4=py312hc5e2394_0
- numpy-base=1.26.4=py312h0da6c21_0
- numpydoc=1.7.0=py312h06a4308_0
- oniguruma=6.9.7.1=h27cfd23_0
- openjpeg=2.4.0=h3ad879b_0
- openpyxl=3.1.2=py312h5eee18b_0
- openssl=3.0.14=h5eee18b_0
- orc=1.7.4=hb3bc3d3_1
- overrides=7.4.0=py312h06a4308_0
- packaging=23.2=py312h06a4308_0
- pandas=2.2.2=py312h526ad5a_0
- pandocfilters=1.5.0=pyhd3eb1b0_0
- panel=1.4.4=py312h06a4308_0
- param=2.1.0=py312h06a4308_0
- parsel=1.8.1=py312h06a4308_0
- parso=0.8.3=pyhd3eb1b0_0
- partd=1.4.1=py312h06a4308_0
- patch=2.7.6=h7b6447c_1001
- patchelf=0.17.2=h6a678d5_0
- pathspec=0.10.3=py312h06a4308_0
- patsy=0.5.6=py312h06a4308_0
- pcre2=10.42=hebb0a14_1
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pillow=10.3.0=py312h5eee18b_0
- pip=24.0=py312h06a4308_0
- pkce=1.0.3=py312h06a4308_0
- pkginfo=1.10.0=py312h06a4308_0
- platformdirs=3.10.0=py312h06a4308_0
- plotly=5.22.0=py312he106c6f_0
- pluggy=1.0.0=py312h06a4308_1
- ply=3.11=py312h06a4308_1
- prometheus_client=0.14.1=py312h06a4308_0
- prompt-toolkit=3.0.43=py312h06a4308_0
- prompt_toolkit=3.0.43=hd3eb1b0_0
- protego=0.1.16=py_0
- protobuf=3.20.3=py312h6a678d5_0
- psutil=5.9.0=py312h5eee18b_0
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pure_eval=0.2.2=pyhd3eb1b0_0
- py-cpuinfo=9.0.0=py312h06a4308_0
- py-lief=0.12.3=py312h6a678d5_0
- pyarrow=14.0.2=py312hb107042_0
- pyasn1=0.4.8=pyhd3eb1b0_0
- pyasn1-modules=0.2.8=py_0
- pybind11-abi=5=hd3eb1b0_0
- pycodestyle=2.11.1=py312h06a4308_0
- pycosat=0.6.6=py312h5eee18b_1
- pycparser=2.21=pyhd3eb1b0_0
- pyct=0.5.0=py312h06a4308_0
- pycurl=7.45.2=py312hdbd6064_1
- pydantic=2.5.3=py312h06a4308_0
- pydantic-core=2.14.6=py312hb02cf49_0
- pydeck=0.8.0=py312h06a4308_2
- pydispatcher=2.0.5=py312h06a4308_3
- pydocstyle=6.3.0=py312h06a4308_0
- pyerfa=2.0.1.4=py312ha883a20_0
- pyflakes=3.2.0=py312h06a4308_0
- pygments=2.15.1=py312h06a4308_1
- pyjwt=2.8.0=py312h06a4308_0
- pylint=2.16.2=py312h06a4308_0
- pylint-venv=3.0.3=py312h06a4308_0
- pyls-spyder=0.4.0=pyhd3eb1b0_0
- pyodbc=5.0.1=py312h6a678d5_0
- pyopenssl=24.0.0=py312h06a4308_0
- pyparsing=3.0.9=py312h06a4308_0
- pyqt=5.15.10=py312h6a678d5_0
- pyqt5-sip=12.13.0=py312h5eee18b_0
- pyqtwebengine=5.15.10=py312h6a678d5_0
- pysocks=1.7.1=py312h06a4308_0
- pytables=3.9.2=py312h387d6ec_0
- pytest=7.4.4=py312h06a4308_0
- python=3.12.4=h5148396_1
- python-dateutil=2.9.0post0=py312h06a4308_2
- python-dotenv=0.21.0=py312h06a4308_0
- python-fastjsonschema=2.16.2=py312h06a4308_0
- python-json-logger=2.0.7=py312h06a4308_0
- python-libarchive-c=2.9=pyhd3eb1b0_1
- python-lmdb=1.4.1=py312h6a678d5_0
- python-lsp-black=2.0.0=py312h06a4308_0
- python-lsp-jsonrpc=1.1.2=pyhd3eb1b0_0
- python-lsp-server=1.10.0=py312h06a4308_0
- python-slugify=5.0.2=pyhd3eb1b0_0
- python-snappy=0.6.1=py312h6a678d5_0
- python-tzdata=2023.3=pyhd3eb1b0_0
- pytoolconfig=1.2.6=py312h06a4308_0
- pytz=2024.1=py312h06a4308_0
- pyviz_comms=3.0.2=py312h06a4308_0
- pywavelets=1.5.0=py312ha883a20_0
- pyxdg=0.27=pyhd3eb1b0_0
- pyyaml=6.0.1=py312h5eee18b_0
- pyzmq=25.1.2=py312h6a678d5_0
- qdarkstyle=3.2.3=pyhd3eb1b0_0
- qstylizer=0.2.2=py312h06a4308_0
- qt-main=5.15.2=h53bd1ea_10
- qt-webengine=5.15.9=h9ab4d14_7
- qtawesome=1.2.2=py312h06a4308_0
- qtconsole=5.5.1=py312h06a4308_0
- qtpy=2.4.1=py312h06a4308_0
- queuelib=1.6.2=py312h06a4308_0
- re2=2022.04.01=h295c915_0
- readline=8.2=h5eee18b_0
- referencing=0.30.2=py312h06a4308_0
- regex=2023.10.3=py312h5eee18b_0
- reproc=14.2.4=h6a678d5_2
- reproc-cpp=14.2.4=h6a678d5_2
- requests=2.32.2=py312h06a4308_0
- requests-file=1.5.1=pyhd3eb1b0_0
- requests-toolbelt=1.0.0=py312h06a4308_0
- rfc3339-validator=0.1.4=py312h06a4308_0
- rfc3986-validator=0.1.1=py312h06a4308_0
- rich=13.3.5=py312h06a4308_1
- rope=1.12.0=py312h06a4308_0
- rpds-py=0.10.6=py312hb02cf49_0
- rtree=1.0.1=py312h06a4308_0
- ruamel.yaml=0.17.21=py312h5eee18b_0
- ruamel_yaml=0.17.21=py312h5eee18b_0
- s2n=1.3.27=hdbd6064_0
- s3fs=2024.3.1=py312h06a4308_0
- scikit-image=0.23.2=py312h526ad5a_0
- scikit-learn=1.4.2=py312h526ad5a_1
- scipy=1.13.1=py312hc5e2394_0
- scrapy=2.11.1=py312h06a4308_0
- seaborn=0.13.2=py312h06a4308_0
- secretstorage=3.3.1=py312h06a4308_1
- semver=3.0.2=py312h06a4308_0
- send2trash=1.8.2=py312h06a4308_0
- service_identity=18.1.0=pyhd3eb1b0_1
- setuptools=69.5.1=py312h06a4308_0
- sip=6.7.12=py312h6a678d5_0
- six=1.16.0=pyhd3eb1b0_1
- smart_open=5.2.1=py312h06a4308_0
- smmap=4.0.0=pyhd3eb1b0_0
- snappy=1.1.10=h6a678d5_1
- sniffio=1.3.0=py312h06a4308_0
- snowballstemmer=2.2.0=pyhd3eb1b0_0
- sortedcontainers=2.4.0=pyhd3eb1b0_0
- soupsieve=2.5=py312h06a4308_0
- sphinx=7.3.7=py312h5eee18b_0
- sphinxcontrib-applehelp=1.0.2=pyhd3eb1b0_0
- sphinxcontrib-devhelp=1.0.2=pyhd3eb1b0_0
- sphinxcontrib-htmlhelp=2.0.0=pyhd3eb1b0_0
- sphinxcontrib-jsmath=1.0.1=pyhd3eb1b0_0
- sphinxcontrib-qthelp=1.0.3=pyhd3eb1b0_0
- sphinxcontrib-serializinghtml=1.1.10=py312h06a4308_0
- spyder=5.5.1=py312h06a4308_0
- spyder-kernels=2.5.0=py312h06a4308_0
- sqlalchemy=2.0.30=py312h5eee18b_0
- sqlite=3.45.3=h5eee18b_0
- stack_data=0.2.0=pyhd3eb1b0_0
- statsmodels=0.14.2=py312ha883a20_0
- streamlit=1.32.0=py312h06a4308_0
- sympy=1.12=py312h06a4308_0
- tabulate=0.9.0=py312h06a4308_0
- tbb=2021.8.0=hdb19cb5_0
- tblib=1.7.0=pyhd3eb1b0_0
- tenacity=8.2.2=py312h06a4308_1
- terminado=0.17.1=py312h06a4308_0
- text-unidecode=1.3=pyhd3eb1b0_0
- textdistance=4.2.1=pyhd3eb1b0_0
- threadpoolctl=2.2.0=pyh0d69192_0
- three-merge=0.1.1=pyhd3eb1b0_0
- tifffile=2023.4.12=py312h06a4308_0
- tinycss2=1.2.1=py312h06a4308_0
- tk=8.6.14=h39e8969_0
- tldextract=3.2.0=pyhd3eb1b0_0
- toml=0.10.2=pyhd3eb1b0_0
- tomli=2.0.1=py312h06a4308_1
- tomlkit=0.11.1=py312h06a4308_0
- toolz=0.12.0=py312h06a4308_0
- tornado=6.4.1=py312h5eee18b_0
- tqdm=4.66.4=py312he106c6f_0
- traitlets=5.14.3=py312h06a4308_0
- truststore=0.8.0=py312h06a4308_0
- twisted=23.10.0=py312h06a4308_0
- typing-extensions=4.11.0=py312h06a4308_0
- typing_extensions=4.11.0=py312h06a4308_0
- tzdata=2024a=h04d1e81_0
- uc-micro-py=1.0.1=py312h06a4308_0
- ujson=5.10.0=py312h6a678d5_0
- unicodedata2=15.1.0=py312h5eee18b_0
- unidecode=1.2.0=pyhd3eb1b0_0
- unixodbc=2.3.11=h5eee18b_0
- urllib3=2.2.2=py312h06a4308_0
- utf8proc=2.6.1=h5eee18b_1
- w3lib=1.21.0=pyhd3eb1b0_0
- watchdog=4.0.1=py312h06a4308_0
- wcwidth=0.2.5=pyhd3eb1b0_0
- webencodings=0.5.1=py312h06a4308_2
- websocket-client=1.8.0=py312h06a4308_0
- werkzeug=3.0.3=py312h06a4308_0
- whatthepatch=1.0.2=py312h06a4308_0
- wheel=0.43.0=py312h06a4308_0
- widgetsnbextension=3.6.6=py312h06a4308_0
- wrapt=1.14.1=py312h5eee18b_0
- wurlitzer=3.0.2=py312h06a4308_0
- xarray=2023.6.0=py312h06a4308_0
- xyzservices=2022.9.0=py312h06a4308_1
- xz=5.4.6=h5eee18b_1
- yaml=0.2.5=h7b6447c_0
- yaml-cpp=0.8.0=h6a678d5_1
- yapf=0.40.2=py312h06a4308_0
- yarl=1.9.3=py312h5eee18b_0
- zeromq=4.3.5=h6a678d5_0
- zfp=1.0.0=h6a678d5_0
- zict=3.0.0=py312h06a4308_0
- zipp=3.17.0=py312h06a4308_0
- zlib=1.2.13=h5eee18b_1
- zlib-ng=2.0.7=h5eee18b_0
- zope=1.0=py312h06a4308_1
- zope.interface=5.4.0=py312h5eee18b_0
- zstandard=0.22.0=py312h2c38b39_0
- zstd=1.5.5=hc292b87_2
- pip:
- alchemlyb==2.3.1
- griddataformats==1.0.2
- loguru==0.7.2
- mrcfile==1.5.3
- parmed==4.2.2
- pymbar==4.0.3
- rdkit==2024.3.3