forked from timkartar/DeepPBS
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathdeeppbs_linux_cpu_only.yml
148 lines (148 loc) · 4.07 KB
/
deeppbs_linux_cpu_only.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
name: deeppbs
channels:
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- blas=1.0=mkl
- bzip2=1.0.8=h5eee18b_5
- c-ares=1.19.1=h5eee18b_0
- ca-certificates=2024.3.11=h06a4308_0
- cyrus-sasl=2.1.28=h52b45da_1
- dbus=1.13.18=hb2f20db_0
- expat=2.5.0=h6a678d5_0
- fontconfig=2.14.1=h4c34cd2_2
- freetype=2.12.1=h4a9f257_0
- glew=2.1.0=h295c915_3
- glib=2.78.4=h6a678d5_0
- glib-tools=2.78.4=h6a678d5_0
- glm=0.9.9.8=h00ab1b0_0
- gst-plugins-base=1.14.1=h6a678d5_1
- gstreamer=1.14.1=h5eee18b_1
- hdf4=4.2.13=h3ca952b_2
- hdf5=1.12.1=h2b7332f_3
- icu=73.1=h6a678d5_0
- intel-openmp=2023.1.0=hdb19cb5_46306
- jpeg=9e=h5eee18b_1
- krb5=1.20.1=h143b758_1
- ld_impl_linux-64=2.38=h1181459_1
- libclang=14.0.6=default_hc6dbbc7_1
- libclang13=14.0.6=default_he11475f_1
- libcups=2.4.2=h2d74bed_1
- libcurl=8.5.0=h251f7ec_0
- libedit=3.1.20230828=h5eee18b_0
- libev=4.33=h7f8727e_1
- libffi=3.4.4=h6a678d5_0
- libgcc-ng=13.2.0=h807b86a_5
- libgfortran-ng=11.2.0=h00389a5_1
- libgfortran5=11.2.0=h1234567_1
- libglib=2.78.4=hdc74915_0
- libglu=9.0.0=hf484d3e_1
- libiconv=1.16=h7f8727e_2
- libllvm14=14.0.6=hdb19cb5_3
- libnetcdf=4.8.1=h14805e7_4
- libnghttp2=1.57.0=h2d74bed_0
- libpng=1.6.39=h5eee18b_0
- libpq=12.17=hdbd6064_0
- libssh2=1.10.0=hdbd6064_2
- libstdcxx-ng=13.2.0=h7e041cc_5
- libuuid=1.41.5=h5eee18b_0
- libxcb=1.15=h7f8727e_0
- libxkbcommon=1.0.1=h5eee18b_1
- libxml2=2.10.4=hf1b16e4_1
- libzip=1.8.0=h6ac8c49_1
- llvm-openmp=14.0.6=h9e868ea_0
- lz4-c=1.9.4=h6a678d5_0
- mkl=2023.1.0=h213fc3f_46344
- mkl-service=2.4.0=py310h5eee18b_1
- mkl_fft=1.3.8=py310h5eee18b_0
- mkl_random=1.2.4=py310hdb19cb5_0
- mysql=5.7.24=h721c034_2
- ncurses=6.4=h6a678d5_0
- numpy-base=1.26.4=py310hb5e798b_0
- openssl=3.0.13=h7f8727e_0
- pcre2=10.42=hebb0a14_0
- pip=23.3.1=py310h06a4308_0
- ply=3.11=py310h06a4308_0
- pmw=2.0.1=py310hff52083_1008
- pymol-open-source=2.5.0=py310h490904b_6
- pyqt=5.15.10=py310h6a678d5_0
- pyqt5-sip=12.13.0=py310h5eee18b_0
- python=3.10.14=h955ad1f_0
- python_abi=3.10=2_cp310
- qt-main=5.15.2=h53bd1ea_10
- readline=8.2=h5eee18b_0
- setuptools=68.2.2=py310h06a4308_0
- sip=6.7.12=py310h6a678d5_0
- sqlite=3.41.2=h5eee18b_0
- tbb=2021.8.0=hdb19cb5_0
- tk=8.6.12=h1ccaba5_0
- tomli=2.0.1=py310h06a4308_0
- wheel=0.41.2=py310h06a4308_0
- xz=5.4.6=h5eee18b_0
- zlib=1.2.13=h5eee18b_0
- zstd=1.5.5=hc292b87_0
- pip:
- aiohttp==3.9.3
- aiosignal==1.3.1
- asgiref==3.8.0
- async-timeout==4.0.3
- attrs==23.2.0
- biopython==1.83
- certifi==2024.2.2
- charset-normalizer==3.3.2
- contourpy==1.2.0
- cycler==0.12.1
- django==5.0.3
- django-cors-headers==4.3.1
- djangorestframework==3.15.0
- docutils==0.17.1
- filelock==3.9.0
- fonttools==4.50.0
- freesasa==2.2.1
- frozenlist==1.4.1
- fsspec==2023.4.0
- idna==3.6
- jinja2==3.1.2
- joblib==1.3.2
- kiwisolver==1.4.5
- logomaker==0.8
- markupsafe==2.1.3
- matplotlib==3.8.3
- mmcif-pdbx==2.0.1
- mpmath==1.3.0
- multidict==6.0.5
- networkx==3.2.1
- numpy==1.26.3
- packaging==24.0
- pandas==2.2.1
- pdb2pqr==3.6.2
- pillow==10.2.0
- propka==3.5.1
- psutil==5.9.8
- pyg-lib==0.4.0+pt22cpu
- pyparsing==3.1.2
- python-dateutil==2.9.0.post0
- pytz==2024.1
- requests==2.31.0
- scikit-learn==1.4.1.post1
- scipy==1.12.0
- seaborn==0.13.2
- six==1.16.0
- sqlparse==0.4.4
- sympy==1.12
- threadpoolctl==3.4.0
- torch==2.2.1+cpu
- torch-cluster==1.6.3+pt22cpu
- torch-geometric==2.5.2
- torch-scatter==2.1.2+pt22cpu
- torch-sparse==0.6.18+pt22cpu
- torch-spline-conv==1.2.2+pt22cpu
- torchaudio==2.2.1+cpu
- torchvision==0.17.1+cpu
- tqdm==4.66.2
- typing-extensions==4.8.0
- tzdata==2024.1
- urllib3==2.2.1
- yarl==1.9.4