-
Notifications
You must be signed in to change notification settings - Fork 0
/
environment.yaml
203 lines (203 loc) · 6.42 KB
/
environment.yaml
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
name: newconda
channels:
- defaults
- https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free
- conda-forge
- https://repo.anaconda.com/pkgs/main
- https://repo.anaconda.com/pkgs/r
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_gnu
- anyio=4.5.0=pyhd8ed1ab_0
- argon2-cffi=23.1.0=pyhd8ed1ab_0
- argon2-cffi-bindings=21.2.0=py38h01eb140_4
- arrow=1.3.0=pyhd8ed1ab_0
- asttokens=2.4.1=pyhd8ed1ab_0
- async-lru=2.0.4=pyhd8ed1ab_0
- attrs=24.2.0=pyh71513ae_0
- babel=2.16.0=pyhd8ed1ab_0
- backcall=0.2.0=pyh9f0ad1d_0
- beautifulsoup4=4.12.3=pyha770c72_0
- blas=1.0=mkl
- bleach=6.1.0=pyhd8ed1ab_0
- bottleneck=1.3.7=py38ha9d4c09_0
- brotli-python=1.0.9=py38hfa26641_7
- ca-certificates=2024.9.24=h06a4308_0
- cached-property=1.5.2=hd8ed1ab_1
- cached_property=1.5.2=pyha770c72_1
- certifi=2024.8.30=pyhd8ed1ab_0
- charset-normalizer=3.4.0=pyhd8ed1ab_0
- comm=0.2.2=pyhd8ed1ab_0
- debugpy=1.6.7=py38h6a678d5_0
- decorator=5.1.1=pyhd8ed1ab_0
- defusedxml=0.7.1=pyhd8ed1ab_0
- entrypoints=0.4=pyhd8ed1ab_0
- exceptiongroup=1.2.2=pyhd8ed1ab_0
- executing=2.1.0=pyhd8ed1ab_0
- fqdn=1.5.1=pyhd8ed1ab_0
- h11=0.14.0=pyhd8ed1ab_0
- h2=4.1.0=pyhd8ed1ab_0
- hpack=4.0.0=pyh9f0ad1d_0
- httpcore=1.0.7=pyh29332c3_1
- httpx=0.27.2=pyhd8ed1ab_0
- hyperframe=6.0.1=pyhd8ed1ab_0
- idna=3.10=pyhd8ed1ab_0
- importlib-metadata=8.5.0=pyha770c72_0
- importlib_metadata=8.5.0=hd8ed1ab_0
- importlib_resources=6.4.5=pyhd8ed1ab_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- ipykernel=6.29.5=pyh3099207_0
- ipython=8.12.2=pyh41d4057_0
- isoduration=20.11.0=pyhd8ed1ab_0
- jedi=0.19.1=pyhd8ed1ab_0
- jinja2=3.1.4=pyhd8ed1ab_0
- json5=0.9.25=pyhd8ed1ab_0
- jsonpointer=3.0.0=py38h578d9bd_0
- jsonschema=4.23.0=pyhd8ed1ab_0
- jsonschema-specifications=2024.10.1=pyhd8ed1ab_0
- jsonschema-with-format-nongpl=4.23.0=hd8ed1ab_0
- jupyter-lsp=2.2.5=pyhd8ed1ab_0
- jupyter_client=7.4.9=pyhd8ed1ab_0
- jupyter_core=5.7.2=pyh31011fe_1
- jupyter_events=0.10.0=pyhd8ed1ab_0
- jupyter_server=2.14.2=pyhd8ed1ab_0
- jupyter_server_terminals=0.5.3=pyhd8ed1ab_0
- jupyterlab=4.2.5=pyhd8ed1ab_0
- jupyterlab_pygments=0.3.0=pyhd8ed1ab_1
- jupyterlab_server=2.27.3=pyhd8ed1ab_0
- krb5=1.21.3=h143b758_0
- ld_impl_linux-64=2.40=h12ee557_0
- libedit=3.1.20230828=h5eee18b_0
- libffi=3.4.4=h6a678d5_1
- libgcc=14.1.0=h77fa898_1
- libgcc-ng=14.1.0=h69a702a_1
- libgomp=14.1.0=h77fa898_1
- libsodium=1.0.20=h4ab18f5_0
- libstdcxx=14.1.0=hc0a3c3a_1
- libstdcxx-ng=11.2.0=h1234567_1
- lz4-c=1.9.4=h6a678d5_1
- markupsafe=2.1.5=py38h01eb140_0
- matplotlib-inline=0.1.7=pyhd8ed1ab_0
- mistune=3.0.2=pyhd8ed1ab_0
- mkl=2023.1.0=h213fc3f_46344
- mkl-service=2.4.0=py38h5eee18b_1
- mkl_fft=1.3.8=py38h5eee18b_0
- mkl_random=1.2.4=py38hdb19cb5_0
- nbclient=0.10.0=pyhd8ed1ab_0
- nbconvert-core=7.16.4=pyhd8ed1ab_1
- nbformat=5.10.4=pyhd8ed1ab_0
- ncurses=6.4=h6a678d5_0
- nest-asyncio=1.6.0=pyhd8ed1ab_0
- notebook=7.2.2=pyhd8ed1ab_0
- notebook-shim=0.2.4=pyhd8ed1ab_0
- numexpr=2.8.4=py38hc78ab66_1
- openssl=3.4.0=hb9d3cd8_0
- overrides=7.7.0=pyhd8ed1ab_0
- packaging=24.1=pyhd8ed1ab_0
- pandocfilters=1.5.0=pyhd8ed1ab_0
- parso=0.8.4=pyhd8ed1ab_0
- pexpect=4.9.0=pyhd8ed1ab_0
- pickleshare=0.7.5=py_1003
- pip=24.2=py38h06a4308_0
- pkgutil-resolve-name=1.3.10=pyhd8ed1ab_1
- platformdirs=4.3.6=pyhd8ed1ab_0
- prometheus_client=0.21.0=pyhd8ed1ab_0
- prompt-toolkit=3.0.48=pyha770c72_0
- prompt_toolkit=3.0.48=hd8ed1ab_0
- psutil=6.0.0=py38hfb59056_0
- ptyprocess=0.7.0=pyhd3deb0d_0
- pure_eval=0.2.3=pyhd8ed1ab_0
- pycparser=2.22=pyhd8ed1ab_0
- pygments=2.18.0=pyhd8ed1ab_0
- pysocks=1.7.1=pyha2e5f31_6
- python=3.8.19=h955ad1f_0
- python-dateutil=2.9.0=pyhd8ed1ab_0
- python-fastjsonschema=2.20.0=pyhd8ed1ab_0
- python-json-logger=2.0.7=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd3eb1b0_0
- python_abi=3.8=2_cp38
- pytz=2024.1=py38h06a4308_0
- pyyaml=6.0.2=py38h2019614_0
- pyzmq=24.0.1=py38h5eee18b_0
- readline=8.2=h5eee18b_0
- referencing=0.35.1=pyhd8ed1ab_0
- requests=2.32.3=pyhd8ed1ab_0
- rfc3339-validator=0.1.4=pyhd8ed1ab_0
- rfc3986-validator=0.1.1=pyh9f0ad1d_0
- rpds-py=0.20.0=py38h4005ec7_0
- send2trash=1.8.3=pyh0d859eb_0
- setuptools=75.1.0=py38h06a4308_0
- six=1.16.0=pyh6c4a22f_0
- sniffio=1.3.1=pyhd8ed1ab_0
- soupsieve=2.5=pyhd8ed1ab_1
- sqlite=3.45.3=h5eee18b_0
- stack_data=0.6.2=pyhd8ed1ab_0
- tbb=2021.8.0=hdb19cb5_0
- terminado=0.18.1=pyh0d859eb_0
- tk=8.6.14=h39e8969_0
- tomli=2.0.2=pyhd8ed1ab_0
- tornado=6.4.1=py38hfb59056_0
- traitlets=5.14.3=pyhd8ed1ab_0
- types-python-dateutil=2.9.0.20241003=pyhff2d567_0
- typing-extensions=4.12.2=hd8ed1ab_0
- typing_extensions=4.12.2=pyha770c72_0
- typing_utils=0.1.0=pyhd8ed1ab_0
- uri-template=1.3.0=pyhd8ed1ab_0
- urllib3=2.2.3=pyhd8ed1ab_0
- wcwidth=0.2.13=pyhd8ed1ab_0
- webcolors=24.8.0=pyhd8ed1ab_0
- webencodings=0.5.1=pyhd8ed1ab_2
- websocket-client=1.8.0=pyhd8ed1ab_0
- wheel=0.44.0=py38h06a4308_0
- xz=5.4.6=h5eee18b_1
- yaml=0.2.5=h7f98852_2
- zeromq=4.3.5=h3b0a872_6
- zipp=3.20.2=pyhd8ed1ab_0
- zlib=1.2.13=h5eee18b_1
- zstandard=0.23.0=py38h62bed22_0
- zstd=1.5.6=hc292b87_0
- pip:
- amplify==0.9.1
- cairocffi==1.7.1
- cairosvg==2.7.1
- cffi==1.17.1
- contourpy==1.1.1
- cssselect2==0.7.0
- cycler==0.12.1
- filelock==3.16.1
- fonttools==4.54.1
- fsspec==2024.9.0
- joblib==1.4.2
- kiwisolver==1.4.7
- matplotlib==3.7.5
- mpmath==1.3.0
- networkx==3.1
- numpy==1.24.0
- nvidia-cublas-cu12==12.1.3.1
- nvidia-cuda-cupti-cu12==12.1.105
- nvidia-cuda-nvrtc-cu12==12.1.105
- nvidia-cuda-runtime-cu12==12.1.105
- nvidia-cudnn-cu12==9.1.0.70
- nvidia-cufft-cu12==11.0.2.54
- nvidia-curand-cu12==10.3.2.106
- nvidia-cusolver-cu12==11.4.5.107
- nvidia-cusparse-cu12==12.1.0.106
- nvidia-nccl-cu12==2.20.5
- nvidia-nvjitlink-cu12==12.6.68
- nvidia-nvtx-cu12==12.1.105
- pandas==1.4.4
- pillow==10.4.0
- pyparsing==3.1.4
- rdkit-pypi==2020.9.5.2
- scikit-learn==1.3.2
- scipy==1.10.1
- seaborn==0.13.2
- sympy==1.13.3
- theano==0.8.0
- threadpoolctl==3.5.0
- tinycss2==1.3.0
- torch==2.4.1
- torchaudio==2.4.1
- torchvision==0.19.1
- tqdm==4.66.5
- triton==3.0.0