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ribesstefano commited on
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Update requirements.txt

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  1. requirements.txt +297 -10
requirements.txt CHANGED
@@ -1,10 +1,297 @@
1
- torch
2
- pytorch_lightning
3
- scikit-learn
4
- imbalanced-learn
5
- rdkit
6
- pandas
7
- joblib
8
- h5py
9
- optuna
10
- torchmetrics
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ absl-py @ file:///home/conda/feedstock_root/build_artifacts/absl-py_1673535674859/work
2
+ accelerate==0.34.2
3
+ aiohttp @ file:///croot/aiohttp_1670009560265/work
4
+ aiosignal @ file:///home/conda/feedstock_root/build_artifacts/aiosignal_1636093929600/work
5
+ alabaster==0.7.16
6
+ alembic @ file:///home/conda/feedstock_root/build_artifacts/alembic_1694690212886/work
7
+ anyio @ file:///home/conda/feedstock_root/build_artifacts/anyio_1688651106312/work/dist
8
+ appdirs==1.4.4
9
+ argon2-cffi==23.1.0
10
+ argon2-cffi-bindings==21.2.0
11
+ arrow @ file:///home/conda/feedstock_root/build_artifacts/arrow_1662382474514/work
12
+ asttokens==2.4.1
13
+ async-lru==2.0.4
14
+ async-timeout @ file:///home/conda/feedstock_root/build_artifacts/async-timeout_1640026696943/work
15
+ attrs==23.2.0
16
+ Babel==2.14.0
17
+ backports.functools-lru-cache @ file:///home/conda/feedstock_root/build_artifacts/backports.functools_lru_cache_1687772187254/work
18
+ beautifulsoup4 @ file:///home/conda/feedstock_root/build_artifacts/beautifulsoup4_1680888073205/work
19
+ binaryornot==0.4.4
20
+ bleach==6.1.0
21
+ blessed @ file:///home/conda/feedstock_root/build_artifacts/blessed_1666523113356/work
22
+ blinker @ file:///home/conda/feedstock_root/build_artifacts/blinker_1681349778161/work
23
+ boltons @ file:///home/conda/feedstock_root/build_artifacts/boltons_1677499911949/work
24
+ Bottleneck @ file:///opt/conda/conda-bld/bottleneck_1657175564434/work
25
+ brotlipy @ file:///home/conda/feedstock_root/build_artifacts/brotlipy_1648854167867/work
26
+ build @ file:///home/conda/feedstock_root/build_artifacts/python-build_1682868691601/work
27
+ CacheControl @ file:///home/conda/feedstock_root/build_artifacts/cachecontrol-split_1686152218986/work
28
+ cachetools==4.2.4
29
+ certifi @ file:///croot/certifi_1725551672989/work/certifi
30
+ cffi @ file:///croot/cffi_1670423208954/work
31
+ chardet @ file:///home/conda/feedstock_root/build_artifacts/chardet_1669990270610/work
32
+ charset-normalizer @ file:///home/conda/feedstock_root/build_artifacts/charset-normalizer_1627689966083/work
33
+ cleo @ file:///home/conda/feedstock_root/build_artifacts/cleo_1669193745932/work
34
+ click @ file:///home/conda/feedstock_root/build_artifacts/click_1645238103949/work
35
+ cmaes @ file:///home/conda/feedstock_root/build_artifacts/cmaes_1689773858544/work
36
+ colorama @ file:///home/conda/feedstock_root/build_artifacts/colorama_1666700638685/work
37
+ colorlog==6.7.0
38
+ comm==0.2.2
39
+ conda @ file:///home/conda/feedstock_root/build_artifacts/conda_1694556045812/work
40
+ conda-content-trust @ file:///home/conda/feedstock_root/build_artifacts/conda-content-trust_1621370699668/work
41
+ conda-package-handling @ file:///croot/conda-package-handling_1666940373510/work
42
+ contourpy==1.2.1
43
+ cookiecutter @ file:///home/conda/feedstock_root/build_artifacts/cookiecutter_1691155628902/work
44
+ crashtest @ file:///home/conda/feedstock_root/build_artifacts/crashtest_1667467006729/work
45
+ croniter @ file:///home/conda/feedstock_root/build_artifacts/croniter_1685103477055/work
46
+ cryptography @ file:///croot/cryptography_1665612644927/work
47
+ cycler==0.12.1
48
+ dataclasses @ file:///home/conda/feedstock_root/build_artifacts/dataclasses_1628958434797/work
49
+ datasets==3.0.0
50
+ dateutils @ file:///home/conda/feedstock_root/build_artifacts/dateutils_1603450192521/work
51
+ debugpy==1.8.1
52
+ decorator==5.1.1
53
+ deepdiff @ file:///home/conda/feedstock_root/build_artifacts/deepdiff_1670811675766/work
54
+ defusedxml==0.7.1
55
+ dill @ file:///home/conda/feedstock_root/build_artifacts/dill_1666603105584/work
56
+ distlib @ file:///home/conda/feedstock_root/build_artifacts/distlib_1689598491484/work
57
+ docker-pycreds==0.4.0
58
+ docstring-parser==0.15
59
+ docutils==0.20.1
60
+ dulwich @ file:///croot/dulwich_1679420040193/work
61
+ evaluate @ file:///home/conda/feedstock_root/build_artifacts/evaluate_1665076711208/work
62
+ exceptiongroup @ file:///home/conda/feedstock_root/build_artifacts/exceptiongroup_1692026125334/work
63
+ executing==2.0.1
64
+ fastapi @ file:///home/conda/feedstock_root/build_artifacts/fastapi_1693793259089/work
65
+ fastjsonschema==2.19.1
66
+ filelock @ file:///home/conda/feedstock_root/build_artifacts/filelock_1672354931606/work
67
+ fonttools==4.51.0
68
+ fqdn==1.5.1
69
+ frozenlist @ file:///croot/frozenlist_1670004507010/work
70
+ fsspec==2024.6.1
71
+ gitdb==4.0.11
72
+ GitPython==3.1.42
73
+ gmpy2 @ file:///tmp/build/80754af9/gmpy2_1645455533097/work
74
+ google-auth==1.35.0
75
+ google-auth-oauthlib==0.4.1
76
+ greenlet @ file:///home/conda/feedstock_root/build_artifacts/greenlet_1648882383677/work
77
+ grpcio @ file:///opt/conda/conda-bld/grpcio_1655801038495/work
78
+ h11 @ file:///home/conda/feedstock_root/build_artifacts/h11_1664132893548/work
79
+ h5py==3.10.0
80
+ html5lib @ file:///home/conda/feedstock_root/build_artifacts/html5lib_1592930327044/work
81
+ httpcore==1.0.5
82
+ httpx==0.27.0
83
+ huggingface==0.0.1
84
+ huggingface-hub==0.24.7
85
+ idna @ file:///home/conda/feedstock_root/build_artifacts/idna_1663625384323/work
86
+ imagesize==1.4.1
87
+ imbalanced-learn==0.12.0
88
+ importlib-metadata @ file:///home/conda/feedstock_root/build_artifacts/importlib-metadata_1688754491823/work
89
+ importlib-resources @ file:///home/conda/feedstock_root/build_artifacts/importlib_resources_1691408075105/work
90
+ iniconfig==2.0.0
91
+ inquirer @ file:///home/conda/feedstock_root/build_artifacts/inquirer_1678135536462/work
92
+ installer @ file:///home/conda/feedstock_root/build_artifacts/python-installer_1679300325491/work
93
+ ipykernel==6.29.4
94
+ ipython==8.23.0
95
+ ipywidgets==8.1.2
96
+ isoduration==20.11.0
97
+ itsdangerous @ file:///home/conda/feedstock_root/build_artifacts/itsdangerous_1648147185463/work
98
+ jaraco.classes @ file:///home/conda/feedstock_root/build_artifacts/jaraco.classes_1689112411129/work
99
+ jedi==0.19.1
100
+ jeepney @ file:///home/conda/feedstock_root/build_artifacts/jeepney_1649085214306/work
101
+ Jinja2 @ file:///home/conda/feedstock_root/build_artifacts/jinja2_1654302431367/work
102
+ joblib @ file:///home/conda/feedstock_root/build_artifacts/joblib_1663332044897/work
103
+ json5==0.9.25
104
+ jsonargparse==4.23.1
105
+ jsonpatch @ file:///home/conda/feedstock_root/build_artifacts/jsonpatch_1632759296524/work
106
+ jsonpointer==2.1
107
+ jsonschema==4.21.1
108
+ jsonschema-specifications==2023.12.1
109
+ jupyter==1.0.0
110
+ jupyter-console==6.6.3
111
+ jupyter-events==0.10.0
112
+ jupyter-lsp==2.2.5
113
+ jupyter_client==8.6.1
114
+ jupyter_core==5.7.2
115
+ jupyter_server==2.14.0
116
+ jupyter_server_terminals==0.5.3
117
+ jupyterlab==4.1.6
118
+ jupyterlab_pygments==0.3.0
119
+ jupyterlab_server==2.26.0
120
+ jupyterlab_widgets==3.0.10
121
+ keyring @ file:///home/conda/feedstock_root/build_artifacts/keyring_1671728228693/work
122
+ kiwisolver==1.4.5
123
+ lightgbm==4.5.0
124
+ lightning @ file:///home/conda/feedstock_root/build_artifacts/lightning_1687764612003/work
125
+ lightning-cloud @ file:///home/conda/feedstock_root/build_artifacts/lightning-cloud_1694633562313/work
126
+ lightning-utilities @ file:///home/conda/feedstock_root/build_artifacts/lightning-utilities_1688117204588/work
127
+ llvmlite==0.42.0
128
+ lockfile==0.12.2
129
+ Mako @ file:///home/conda/feedstock_root/build_artifacts/mako_1668568582731/work
130
+ MAPIE @ file:///home/conda/feedstock_root/build_artifacts/mapie_1718631864590/work
131
+ Markdown @ file:///home/conda/feedstock_root/build_artifacts/markdown_1690307387991/work
132
+ markdown-it-py @ file:///home/conda/feedstock_root/build_artifacts/markdown-it-py_1686175045316/work
133
+ MarkupSafe @ file:///home/conda/feedstock_root/build_artifacts/markupsafe_1648737547956/work
134
+ matplotlib==3.8.4
135
+ matplotlib-inline==0.1.7
136
+ mdurl @ file:///home/conda/feedstock_root/build_artifacts/mdurl_1639515908913/work
137
+ mistune==3.0.2
138
+ mkl-fft==1.3.6
139
+ mkl-random @ file:///work/mkl/mkl_random_1682950433854/work
140
+ mkl-service==2.4.0
141
+ more-itertools @ file:///home/conda/feedstock_root/build_artifacts/more-itertools_1691086935839/work
142
+ mpmath @ file:///home/conda/feedstock_root/build_artifacts/mpmath_1678228039184/work
143
+ msgpack @ file:///home/conda/feedstock_root/build_artifacts/msgpack-python_1648745999384/work
144
+ multidict @ file:///home/conda/feedstock_root/build_artifacts/multidict_1648882415384/work
145
+ multiprocess @ file:///croot/multiprocess_1668006441451/work
146
+ nbclient==0.10.0
147
+ nbconvert==7.16.3
148
+ nbformat==5.10.4
149
+ nest-asyncio==1.6.0
150
+ networkx @ file:///home/conda/feedstock_root/build_artifacts/networkx_1680692919326/work
151
+ nltk==3.8.1
152
+ notebook==7.1.3
153
+ notebook_shim==0.2.4
154
+ numba==0.59.1
155
+ numexpr @ file:///croot/numexpr_1683221822650/work
156
+ numpy @ file:///croot/numpy_and_numpy_base_1691091611330/work
157
+ oauthlib @ file:///home/conda/feedstock_root/build_artifacts/oauthlib_1666056362788/work
158
+ optuna @ file:///home/conda/feedstock_root/build_artifacts/optuna_1691405061138/work
159
+ ordered-set @ file:///home/conda/feedstock_root/build_artifacts/ordered-set_1643221357603/work
160
+ overrides==7.7.0
161
+ packaging @ file:///home/conda/feedstock_root/build_artifacts/packaging_1673482170163/work
162
+ pandas==1.5.3
163
+ pandocfilters==1.5.1
164
+ parso==0.8.4
165
+ pexpect @ file:///home/conda/feedstock_root/build_artifacts/pexpect_1667297516076/work
166
+ Pillow==9.4.0
167
+ pkginfo @ file:///home/conda/feedstock_root/build_artifacts/pkginfo_1673281726124/work
168
+ pkgutil_resolve_name @ file:///home/conda/feedstock_root/build_artifacts/pkgutil-resolve-name_1694617248815/work
169
+ platformdirs @ file:///home/conda/feedstock_root/build_artifacts/platformdirs_1672264874562/work
170
+ pluggy==1.5.0
171
+ poetry @ file:///home/conda/feedstock_root/build_artifacts/poetry_1680723515354/work
172
+ poetry-core @ file:///home/conda/feedstock_root/build_artifacts/poetry-core_1678790306193/work
173
+ poetry-plugin-export @ file:///home/conda/feedstock_root/build_artifacts/poetry-plugin-export_1681748973730/work
174
+ prometheus_client==0.20.0
175
+ prompt-toolkit==3.0.43
176
+ protobuf==3.20.3
177
+ psutil @ file:///home/conda/feedstock_root/build_artifacts/psutil_1648872977611/work
178
+ ptyprocess @ file:///home/conda/feedstock_root/build_artifacts/ptyprocess_1609419310487/work/dist/ptyprocess-0.7.0-py2.py3-none-any.whl
179
+ pure-eval==0.2.2
180
+ pyarrow==17.0.0
181
+ pyasn1==0.4.8
182
+ pyasn1-modules==0.2.7
183
+ pycosat @ file:///croot/pycosat_1666805502580/work
184
+ pycparser @ file:///home/conda/feedstock_root/build_artifacts/pycparser_1636257122734/work
185
+ pydantic @ file:///home/conda/feedstock_root/build_artifacts/pydantic_1653020724956/work
186
+ Pygments==2.18.0
187
+ PyJWT @ file:///home/conda/feedstock_root/build_artifacts/pyjwt_1689721553971/work
188
+ pynndescent==0.5.12
189
+ pynvml==11.5.0
190
+ pyOpenSSL @ file:///home/conda/feedstock_root/build_artifacts/pyopenssl_1663846997386/work
191
+ pyparsing @ file:///opt/conda/conda-bld/pyparsing_1661452539315/work
192
+ pyproject_hooks @ file:///home/conda/feedstock_root/build_artifacts/pyproject_hooks_1670268672584/work
193
+ pyrsistent @ file:///home/conda/feedstock_root/build_artifacts/pyrsistent_1649013351988/work
194
+ PySocks @ file:///home/conda/feedstock_root/build_artifacts/pysocks_1661604839144/work
195
+ pytest==8.1.1
196
+ python-dateutil @ file:///home/conda/feedstock_root/build_artifacts/python-dateutil_1626286286081/work
197
+ python-editor==1.0.4
198
+ python-json-logger==2.0.7
199
+ python-multipart @ file:///home/conda/feedstock_root/build_artifacts/python-multipart_1679167423335/work
200
+ python-slugify @ file:///home/conda/feedstock_root/build_artifacts/python-slugify_1677265108728/work
201
+ pytorch-lightning @ file:///home/conda/feedstock_root/build_artifacts/pytorch-lightning_1694753701789/work
202
+ pytz @ file:///home/conda/feedstock_root/build_artifacts/pytz_1673864280276/work
203
+ pyu2f @ file:///home/conda/feedstock_root/build_artifacts/pyu2f_1604248910016/work
204
+ PyYAML @ file:///home/conda/feedstock_root/build_artifacts/pyyaml_1648757090803/work
205
+ pyzmq==26.0.1
206
+ qtconsole==5.5.1
207
+ QtPy==2.4.1
208
+ rapidfuzz @ file:///croot/rapidfuzz_1679593470109/work
209
+ rdkit==2023.9.5
210
+ rdkit-pypi==2022.9.5
211
+ readchar @ file:///home/conda/feedstock_root/build_artifacts/readchar_1679045163536/work
212
+ referencing==0.34.0
213
+ regex @ file:///tmp/abs_41f5bce5-0a2e-45aa-b231-1fd2fbd57753gfpe6sjm/croots/recipe/regex_1658257178822/work
214
+ requests==2.32.3
215
+ requests-oauthlib @ file:///home/conda/feedstock_root/build_artifacts/requests-oauthlib_1643557462909/work
216
+ requests-toolbelt @ file:///home/conda/feedstock_root/build_artifacts/requests-toolbelt_1667050328587/work
217
+ responses @ file:///home/conda/feedstock_root/build_artifacts/responses_1643839609465/work
218
+ rfc3339-validator==0.1.4
219
+ rfc3986-validator==0.1.1
220
+ rich @ file:///home/conda/feedstock_root/build_artifacts/rich-split_1690807641695/work/dist
221
+ rouge-score==0.1.2
222
+ rpds-py==0.18.0
223
+ rsa @ file:///home/conda/feedstock_root/build_artifacts/rsa_1658328885051/work
224
+ ruamel.yaml @ file:///home/conda/feedstock_root/build_artifacts/ruamel.yaml_1649033201098/work
225
+ ruamel.yaml.clib @ file:///home/conda/feedstock_root/build_artifacts/ruamel.yaml.clib_1649013063403/work
226
+ sacremoses==0.0.43
227
+ safetensors==0.4.5
228
+ scikit-learn @ file:///croot/scikit-learn_1675444908879/work
229
+ scipy==1.9.3
230
+ seaborn==0.13.2
231
+ SecretStorage @ file:///home/conda/feedstock_root/build_artifacts/secretstorage_1666848678066/work
232
+ Send2Trash==1.8.3
233
+ sentry-sdk==1.41.0
234
+ setproctitle==1.3.3
235
+ shellingham @ file:///home/conda/feedstock_root/build_artifacts/shellingham_1692272038226/work
236
+ six @ file:///home/conda/feedstock_root/build_artifacts/six_1620240208055/work
237
+ smmap==5.0.1
238
+ sniffio @ file:///home/conda/feedstock_root/build_artifacts/sniffio_1662051266223/work
239
+ snowballstemmer==2.2.0
240
+ soupsieve @ file:///home/conda/feedstock_root/build_artifacts/soupsieve_1693929250441/work
241
+ Sphinx==7.4.7
242
+ sphinx-rtd-theme==2.0.0
243
+ sphinxcontrib-applehelp==2.0.0
244
+ sphinxcontrib-devhelp==2.0.0
245
+ sphinxcontrib-htmlhelp==2.1.0
246
+ sphinxcontrib-jquery==4.1
247
+ sphinxcontrib-jsmath==1.0.1
248
+ sphinxcontrib-qthelp==2.0.0
249
+ sphinxcontrib-serializinghtml==2.0.0
250
+ SQLAlchemy @ file:///home/conda/feedstock_root/build_artifacts/sqlalchemy_1651017955343/work
251
+ stack-data==0.6.3
252
+ starlette @ file:///home/conda/feedstock_root/build_artifacts/starlette-recipe_1684245096404/work
253
+ starsessions @ file:///home/conda/feedstock_root/build_artifacts/starsessions_1659923701614/work
254
+ sympy @ file:///home/conda/feedstock_root/build_artifacts/sympy_1679342554516/work
255
+ tabulate @ file:///home/conda/feedstock_root/build_artifacts/tabulate_1665138452165/work
256
+ tensorboard @ file:///home/builder/adipietro/tf/tensorboard_1630508887863/work/tensorboard-2.6.0-py3-none-any.whl
257
+ tensorboard-data-server==0.6.1
258
+ tensorboard-plugin-wit @ file:///home/conda/feedstock_root/build_artifacts/tensorboard-plugin-wit_1641458951060/work/tensorboard_plugin_wit-1.8.1-py3-none-any.whl
259
+ terminado==0.18.1
260
+ text-unidecode==1.3
261
+ threadpoolctl @ file:///Users/ktietz/demo/mc3/conda-bld/threadpoolctl_1629802263681/work
262
+ tinycss2==1.2.1
263
+ tokenizers==0.19.1
264
+ tomli @ file:///home/conda/feedstock_root/build_artifacts/tomli_1644342247877/work
265
+ tomlkit @ file:///home/conda/feedstock_root/build_artifacts/tomlkit_1690472772788/work
266
+ toolz @ file:///home/conda/feedstock_root/build_artifacts/toolz_1657485559105/work
267
+ torch==2.0.1
268
+ torch-geometric @ file:///usr/share/miniconda/envs/test/conda-bld/pyg_1690989682346/work
269
+ torchaudio==2.0.2
270
+ torchmetrics @ file:///home/conda/feedstock_root/build_artifacts/torchmetrics_1694450509941/work
271
+ torchvision==0.15.2
272
+ tornado==6.4
273
+ tqdm==4.66.5
274
+ traitlets @ file:///croot/traitlets_1718227057033/work
275
+ transformers==4.44.2
276
+ triton==2.0.0
277
+ trove-classifiers @ file:///home/conda/feedstock_root/build_artifacts/trove-classifiers_1691481971459/work
278
+ typeshed-client==2.3.0
279
+ typing_extensions @ file:///home/conda/feedstock_root/build_artifacts/typing_extensions_1688315532570/work
280
+ umap-learn==0.5.6
281
+ Unidecode @ file:///home/conda/feedstock_root/build_artifacts/unidecode_1664588179651/work
282
+ uri-template==1.3.0
283
+ urllib3 @ file:///home/conda/feedstock_root/build_artifacts/urllib3_1669259737463/work
284
+ uvicorn @ file:///home/conda/feedstock_root/build_artifacts/uvicorn-split_1690810075474/work
285
+ virtualenv @ file:///home/conda/feedstock_root/build_artifacts/virtualenv_1681949329741/work
286
+ wandb==0.16.4
287
+ wcwidth @ file:///home/conda/feedstock_root/build_artifacts/wcwidth_1673864653149/work
288
+ webcolors==1.13
289
+ webencodings @ file:///home/conda/feedstock_root/build_artifacts/webencodings_1694681268211/work
290
+ websocket-client==1.7.0
291
+ websockets @ file:///home/conda/feedstock_root/build_artifacts/websockets_1650300297306/work
292
+ Werkzeug @ file:///home/conda/feedstock_root/build_artifacts/werkzeug_1686273693854/work
293
+ widgetsnbextension==4.0.10
294
+ xgboost==1.5.1
295
+ xxhash @ file:///home/conda/feedstock_root/build_artifacts/python-xxhash_1635939258953/work
296
+ yarl @ file:///opt/conda/conda-bld/yarl_1661437085904/work
297
+ zipp @ file:///home/conda/feedstock_root/build_artifacts/zipp_1689374466814/work