-
Notifications
You must be signed in to change notification settings - Fork 0
/
environment.yaml
185 lines (185 loc) · 5.23 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
name: ProTact
channels:
- pyg
- pytorch
- bioconda
- dglteam
- nvidia
- nvidia/label/cuda-11.8.0
- defaults
- conda-forge
dependencies:
- _libgcc_mutex=0.1=main
- _openmp_mutex=5.1=1_gnu
- biopandas=0.4.1=pyhd8ed1ab_1
- blas=1.0=mkl
- bottleneck=1.3.5=py39h7deecbd_0
- brotlipy=0.7.0=py39h27cfd23_1003
- bzip2=1.0.8=h7b6447c_0
- ca-certificates=2023.08.22=h06a4308_0
- certifi=2023.7.22=py39h06a4308_0
- cffi=1.15.1=py39h5eee18b_3
- charset-normalizer=2.0.4=pyhd3eb1b0_0
- cryptography=41.0.2=py39h22a60cf_0
- cuda=11.8.0=0
- cuda-cccl=11.8.89=0
- cuda-command-line-tools=11.8.0=0
- cuda-compiler=11.8.0=0
- cuda-cudart=11.8.89=0
- cuda-cudart-dev=11.8.89=0
- cuda-cuobjdump=11.8.86=0
- cuda-cupti=11.8.87=0
- cuda-cuxxfilt=11.8.86=0
- cuda-demo-suite=11.8.86=0
- cuda-documentation=11.8.86=0
- cuda-driver-dev=11.8.89=0
- cuda-gdb=11.8.86=0
- cuda-libraries=11.8.0=0
- cuda-libraries-dev=11.8.0=0
- cuda-memcheck=11.8.86=0
- cuda-nsight=11.8.86=0
- cuda-nsight-compute=11.8.0=0
- cuda-nvcc=11.8.89=0
- cuda-nvdisasm=11.8.86=0
- cuda-nvml-dev=11.8.86=0
- cuda-nvprof=11.8.87=0
- cuda-nvprune=11.8.86=0
- cuda-nvrtc=11.8.89=0
- cuda-nvrtc-dev=11.8.89=0
- cuda-nvtx=11.8.86=0
- cuda-nvvp=11.8.87=0
- cuda-profiler-api=11.8.86=0
- cuda-runtime=11.8.0=0
- cuda-sanitizer-api=11.8.86=0
- cuda-toolkit=11.8.0=0
- cuda-tools=11.8.0=0
- cuda-visual-tools=11.8.0=0
- dgl-cuda11.7=0.9.1post1=py39_0
- e3nn=0.5.1=pyhd8ed1ab_0
- ffmpeg=4.2.2=h20bf706_0
- filelock=3.9.0=py39h06a4308_0
- freetype=2.12.1=h4a9f257_0
- gds-tools=1.4.0.31=0
- giflib=5.2.1=h5eee18b_3
- gmp=6.2.1=h295c915_3
- gmpy2=2.1.2=py39heeb90bb_0
- gnutls=3.6.15=he1e5248_0
- hhsuite=3.3.0=py39pl5321h67e14b5_5
- idna=3.4=py39h06a4308_0
- intel-openmp=2023.1.0=hdb19cb5_46305
- jinja2=3.1.2=py39h06a4308_0
- joblib=1.2.0=py39h06a4308_0
- jpeg=9e=h5eee18b_1
- lame=3.100=h7b6447c_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libcublas=11.11.3.6=0
- libcublas-dev=11.11.3.6=0
- libcufft=10.9.0.58=0
- libcufft-dev=10.9.0.58=0
- libcufile=1.7.0.149=0
- libcufile-dev=1.4.0.31=0
- libcurand=10.3.3.53=0
- libcurand-dev=10.3.0.86=0
- libcusolver=11.4.1.48=0
- libcusolver-dev=11.4.1.48=0
- libcusparse=11.7.5.86=0
- libcusparse-dev=11.7.5.86=0
- libdeflate=1.17=h5eee18b_0
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=11.2.0=h1234567_1
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libgomp=11.2.0=h1234567_1
- libidn2=2.3.4=h5eee18b_0
- libnpp=11.8.0.86=0
- libnpp-dev=11.8.0.86=0
- libnsl=2.0.0=h5eee18b_0
- libnvjpeg=11.9.0.86=0
- libnvjpeg-dev=11.9.0.86=0
- libopus=1.3.1=h7b6447c_0
- libpng=1.6.39=h5eee18b_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtasn1=4.19.0=h5eee18b_0
- libtiff=4.5.1=h6a678d5_0
- libunistring=0.9.10=h27cfd23_0
- libvpx=1.7.0=h439df22_0
- libwebp=1.2.4=h11a3e52_1
- libwebp-base=1.2.4=h5eee18b_1
- lz4-c=1.9.4=h6a678d5_0
- markupsafe=2.1.1=py39h7f8727e_0
- mkl=2023.1.0=h213fc3f_46343
- mkl-service=2.4.0=py39h5eee18b_1
- mkl_fft=1.3.6=py39h417a72b_1
- mkl_random=1.2.2=py39h417a72b_1
- mpc=1.1.0=h10f8cd9_1
- mpfr=4.0.2=hb69a4c5_1
- mpmath=1.3.0=py39h06a4308_0
- ncurses=6.4=h6a678d5_0
- nettle=3.7.3=hbbd107a_1
- networkx=3.1=py39h06a4308_0
- nsight-compute=2022.3.0.22=0
- numexpr=2.8.4=py39hc78ab66_1
- numpy=1.25.2=py39h5f9d8c6_0
- numpy-base=1.25.2=py39hb5e798b_0
- openh264=2.1.1=h4ff587b_0
- openssl=3.0.10=h7f8727e_2
- opt-einsum=3.0.0=py_0
- opt_einsum_fx=0.1.4=pyhd8ed1ab_0
- packaging=23.1=py39h06a4308_0
- pandas=2.0.3=py39h1128e8f_0
- perl=5.32.1=0_h5eee18b_perl5
- pillow=9.4.0=py39h6a678d5_0
- pip=23.2.1=py39h06a4308_0
- pycparser=2.21=pyhd3eb1b0_0
- pyopenssl=23.2.0=py39h06a4308_0
- pysocks=1.7.1=py39h06a4308_0
- python=3.9.17=h955ad1f_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python-tzdata=2023.3=pyhd3eb1b0_0
- python_abi=3.9=2_cp39
- pytorch=2.0.1=py3.9_cuda11.8_cudnn8.7.0_0
- pytorch-cuda=11.8=h7e8668a_5
- pytorch-mutex=1.0=cuda
- pytorch-scatter=2.1.1=py39_torch_2.0.0_cu118
- pytz=2022.7=py39h06a4308_0
- readline=8.2=h5eee18b_0
- requests=2.31.0=py39h06a4308_0
- scikit-learn=1.2.2=py39h6a678d5_1
- scipy=1.11.1=py39h5f9d8c6_0
- setuptools=68.0.0=py39h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- sqlite=3.41.2=h5eee18b_0
- sympy=1.11.1=py39h06a4308_0
- tbb=2021.8.0=hdb19cb5_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- torchaudio=2.0.2=py39_cu118
- torchtriton=2.0.0=py39
- torchvision=0.15.2=py39_cu118
- typing_extensions=4.7.1=py39h06a4308_0
- tzdata=2023c=h04d1e81_0
- urllib3=1.26.16=py39h06a4308_0
- wheel=0.38.4=py39h06a4308_0
- x264=1!157.20191217=h7b6447c_0
- xz=5.4.2=h5eee18b_0
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.5=hc292b87_0
- pip:
- atom3-py3==0.1.9.8
- biopython==1.81
- click==8.1.6
- dill==0.3.7
- easy-parallel-py3==0.1.6.4
- h5py==3.9.0
- keopscore==2.1.2
- multiprocess==0.70.15
- pathos==0.3.1
- pox==0.3.3
- ppft==1.7.6.7
- psutil==5.9.5
- pybind11==2.11.1
- pykeops==2.1.2
- tqdm==4.66.1
prefix: /data/user/liudq/miniconda3/envs/ProTact