-
Notifications
You must be signed in to change notification settings - Fork 38
/
environment.yml
211 lines (211 loc) · 6.08 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
name: dynamicbind
channels:
- pyg
- pytorch
- nvidia
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- appdirs=1.4.4=pyhd3eb1b0_0
- asttokens=2.0.5=pyhd3eb1b0_0
- backcall=0.2.0=pyhd3eb1b0_0
- blas=1.0=mkl
- boost=1.74.0=py310h7c3ba0c_5
- boost-cpp=1.74.0=h75c5d50_8
- brotli=1.0.9=h166bdaf_8
- brotli-bin=1.0.9=h166bdaf_8
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2023.7.22=hbcca054_0
- cairo=1.16.0=hb05425b_3
- certifi=2023.7.22=pyhd8ed1ab_0
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- cuda-cudart=11.7.99=0
- cuda-cupti=11.7.101=0
- cuda-libraries=11.7.1=0
- cuda-nvrtc=11.7.99=0
- cuda-nvtx=11.7.91=0
- cuda-runtime=11.7.1=0
- cycler=0.11.0=pyhd8ed1ab_0
- decorator=5.1.1=pyhd3eb1b0_0
- executing=0.8.3=pyhd3eb1b0_0
- expat=2.5.0=hcb278e6_1
- ffmpeg=4.3=hf484d3e_0
- fontconfig=2.14.2=h14ed4e7_0
- freetype=2.12.1=h4a9f257_0
- gettext=0.21.1=h27087fc_0
- giflib=5.2.1=h5eee18b_3
- glib=2.76.2=hfc55251_0
- glib-tools=2.76.2=hfc55251_0
- gmp=6.2.1=h295c915_3
- gnutls=3.6.15=he1e5248_0
- icu=70.1=h27087fc_0
- intel-openmp=2023.1.0=hdb19cb5_46305
- jbig=2.1=h7f98852_2003
- jpeg=9e=h5eee18b_1
- jupyter_client=8.1.0=py310h06a4308_0
- jupyter_core=5.3.0=py310h06a4308_0
- lame=3.100=h7b6447c_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libbrotlicommon=1.0.9=h166bdaf_8
- libbrotlidec=1.0.9=h166bdaf_8
- libbrotlienc=1.0.9=h166bdaf_8
- libcublas=11.10.3.66=0
- libcufft=10.7.2.124=h4fbf590_0
- libcufile=1.6.1.9=0
- libcurand=10.3.2.106=0
- libcusolver=11.4.0.1=0
- libcusparse=11.7.4.91=0
- libdeflate=1.8=h7f8727e_5
- libexpat=2.5.0=hcb278e6_1
- libffi=3.4.2=h6a678d5_6
- libgcc-ng=12.2.0=h65d4601_19
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libglib=2.76.2=hebfc3b9_0
- libiconv=1.17=h166bdaf_0
- libidn2=2.3.2=h7f8727e_0
- libnpp=11.7.4.75=0
- libnsl=2.0.0=h7f98852_0
- libnvjpeg=11.8.0.2=0
- libpng=1.6.39=h5eee18b_0
- libsodium=1.0.18=h7b6447c_0
- libsqlite=3.42.0=h2797004_0
- libstdcxx-ng=12.2.0=h46fd767_19
- libtasn1=4.19.0=h5eee18b_0
- libtiff=4.3.0=h6f004c6_2
- libunistring=0.9.10=h27cfd23_0
- libuuid=2.38.1=h0b41bf4_0
- libwebp=1.2.4=h11a3e52_1
- libwebp-base=1.2.4=h5eee18b_1
- libxcb=1.15=h0b41bf4_0
- libzlib=1.2.13=h166bdaf_4
- llvm-openmp=16.0.3=h4dfa4b3_0
- lz4-c=1.9.4=h6a678d5_0
- matplotlib-base=3.7.1=py310he60537e_0
- mkl=2023.1.0=h6d00ec8_46342
- mkl_fft=1.3.6=py310h1128e8f_1
- mkl_random=1.2.2=py310h1128e8f_1
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- munkres=1.1.4=pyh9f0ad1d_0
- ncurses=6.4=h6a678d5_0
- nettle=3.7.3=hbbd107a_1
- numpy-base=1.24.3=py310hb5e798b_1
- openh264=2.1.1=h4ff587b_0
- openssl=3.1.2=hd590300_0
- packaging=23.1=pyhd8ed1ab_0
- parso=0.8.3=pyhd3eb1b0_0
- pcre2=10.40=hc3806b6_0
- pexpect=4.8.0=pyhd3eb1b0_3
- pickleshare=0.7.5=pyhd3eb1b0_1003
- pixman=0.40.0=h36c2ea0_0
- pooch=1.4.0=pyhd3eb1b0_0
- pthread-stubs=0.4=h36c2ea0_1001
- ptyprocess=0.7.0=pyhd3eb1b0_2
- pure_eval=0.2.2=pyhd3eb1b0_0
- pycparser=2.21=pyhd3eb1b0_0
- pyg=2.3.0=py310_torch_2.0.0_cu117
- pyparsing=3.0.9=pyhd8ed1ab_0
- python=3.10.12=hd12c33a_0_cpython
- python-dateutil=2.8.2=pyhd8ed1ab_0
- python-tzdata=2023.3=pyhd8ed1ab_0
- python_abi=3.10=2_cp310
- pytorch=2.0.1=py3.10_cuda11.7_cudnn8.5.0_0
- pytorch-cuda=11.7=h778d358_5
- pytorch-mutex=1.0=cuda
- pytz=2023.3=pyhd8ed1ab_0
- rdkit=2022.03.5=py310h1c297d8_0
- readline=8.2=h5eee18b_0
- six=1.16.0=pyh6c4a22f_0
- sqlite=3.41.2=h5eee18b_0
- stack_data=0.2.0=pyhd3eb1b0_0
- tbb=2021.8.0=hdb19cb5_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- torchtriton=2.0.0=py310
- typing_extensions=4.5.0=py310h06a4308_0
- tzdata=2023c=h04d1e81_0
- wcwidth=0.2.5=pyhd3eb1b0_0
- xorg-libxau=1.0.9=h7f98852_0
- xorg-libxdmcp=1.1.3=h7f98852_0
- xz=5.2.6=h166bdaf_0
- yaml=0.2.5=h7b6447c_0
- zeromq=4.3.4=h2531618_0
- zlib=1.2.13=h166bdaf_4
- zstd=1.5.2=hfc55251_7
- pip:
- biopython==1.78
- brotlipy==0.7.0
- cffi==1.15.1
- comm==0.1.2
- contourpy==1.0.7
- cryptography==38.0.4
- debugpy==1.5.1
- e3nn==0.5.1
- fair-esm==2.0.0
- filelock==3.9.0
- fonttools==4.39.3
- gmpy2==2.1.2
- greenlet==2.0.2
- idna==3.4
- ipykernel==6.19.2
- ipython==8.12.0
- jedi==0.18.1
- jinja2==3.1.2
- joblib==1.1.1
- jupyter-client==8.1.0
- jupyter-core==5.3.0
- kiwisolver==1.4.4
- markupsafe==2.1.1
- matplotlib==3.7.1
- matplotlib-inline==0.1.6
- mkl-fft==1.3.6
- mkl-random==1.2.2
- mkl-service==2.4.0
- mpmath==1.2.1
- nest-asyncio==1.5.6
- networkx==2.8.4
- numpy==1.24.3
- opt-einsum==3.3.0
- opt-einsum-fx==0.1.4
- pandas==2.0.1
- pillow==9.4.0
- pip==23.0.1
- platformdirs==2.5.2
- prompt-toolkit==3.0.36
- psutil==5.9.0
- https://data.pyg.org/whl/torch-2.0.0%2Bcu117/pyg_lib-0.2.0%2Bpt20cu117-cp310-cp310-linux_x86_64.whl
- pygments==2.15.1
- pyopenssl==23.0.0
- pysocks==1.7.1
- pyyaml==6.0
- pyzmq==25.0.2
- reportlab==3.6.13
- requests==2.29.0
- scikit-learn==1.2.2
- scipy==1.10.1
- setuptools==66.0.0
- spyrmsd==0.5.2
- sqlalchemy==1.4.46
- sympy==1.11.1
- torch==2.0.1
- https://data.pyg.org/whl/torch-2.0.0%2Bcu117/torch_cluster-1.6.1%2Bpt20cu117-cp310-cp310-linux_x86_64.whl
- torch-geometric==2.3.0
- https://data.pyg.org/whl/torch-2.0.0%2Bcu117/torch_scatter-2.1.1%2Bpt20cu117-cp310-cp310-linux_x86_64.whl
- https://data.pyg.org/whl/torch-2.0.0%2Bcu117/torch_sparse-0.6.17%2Bpt20cu117-cp310-cp310-linux_x86_64.whl
- https://data.pyg.org/whl/torch-2.0.0%2Bcu117/torch_spline_conv-1.2.2%2Bpt20cu117-cp310-cp310-linux_x86_64.whl
- torchaudio==2.0.2
- torchvision==0.15.2
- tornado==6.2
- tqdm==4.65.0
- traitlets==5.7.1
- triton==2.0.0
- typing-extensions==4.5.0
- unicodedata2==15.0.0
- urllib3==1.26.15
- wheel==0.38.4
prefix: /gxr/luwei/anaconda3/envs/dynamicbind