-
Notifications
You must be signed in to change notification settings - Fork 21
/
environment.yml
executable file
·144 lines (143 loc) · 3.85 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
name: RL-GraphINVENT-env
channels:
- rdkit
- pytorch
- anaconda
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- _pytorch_select=0.2=gpu_0
- absl-py=0.9.0=py36_0
- asn1crypto=1.3.0=py36_0
- backcall=0.2.0=py_0
- blas=1.0=mkl
- blinker=1.4=py36_0
- bzip2=1.0.8=h7b6447c_0
- c-ares=1.15.0=h7b6447c_1001
- ca-certificates=2020.10.14=0
- cachetools=3.1.1=py_0
- cairo=1.14.12=h8948797_3
- certifi=2020.6.20=py36_0
- cffi=1.13.2=py36h2e261b9_0
- chardet=3.0.4=py36_1003
- click=7.0=py_0
- cryptography=2.8=py36h1ba5d50_0
- cudatoolkit=10.0.130=0
- cudnn=7.6.4=cuda10.0_0
- cycler=0.10.0=py36_0
- dbus=1.13.12=h746ee38_0
- decorator=4.4.2=py_0
- expat=2.2.6=he6710b0_0
- fontconfig=2.13.0=h9420a91_0
- freetype=2.9.1=h8a8886c_1
- future=0.18.2=py36_0
- glib=2.63.1=h5a9c865_0
- google-auth=1.11.2=py_0
- google-auth-oauthlib=0.4.1=py_2
- grpcio=1.27.2=py36hf8bcb03_0
- gst-plugins-base=1.14.0=hbbd80ab_1
- gstreamer=1.14.0=hb453b48_1
- h5py=2.9.0=py36h7918eee_0
- hdf5=1.10.4=hb1b8bf9_0
- icu=58.2=h9c2bf20_1
- idna=2.8=py36_0
- intel-openmp=2019.4=243
- ipykernel=5.3.4=py36h5ca1d4c_0
- ipython=7.16.1=py36h5ca1d4c_0
- ipython_genutils=0.2.0=py36_0
- jedi=0.18.0=py36h06a4308_1
- joblib=1.0.1=pyhd8ed1ab_0
- jpeg=9b=h024ee3a_2
- jupyter_client=6.1.7=py_0
- jupyter_core=4.6.3=py36_0
- kiwisolver=1.1.0=py36he6710b0_0
- libblas=3.8.0=14_mkl
- libboost=1.67.0=h46d08c1_4
- libcblas=3.8.0=14_mkl
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=hd88cf55_4
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.3.0=hdf63c60_0
- libpng=1.6.37=hbc83047_0
- libprotobuf=3.11.0=h8b12597_0
- libsodium=1.0.18=h7b6447c_0
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.1.0=h2733197_0
- libuuid=1.0.3=h1bed415_2
- libxcb=1.13=h1bed415_1
- libxml2=2.9.9=hea5a465_1
- markdown=3.1.1=py_0
- matplotlib=3.1.1=py36h5429711_0
- mkl=2019.4=243
- mkl-service=2.3.0=py36he904b0f_0
- mkl_fft=1.0.15=py36ha843d7b_0
- mkl_random=1.1.0=py36hd6b4f25_0
- ncurses=6.1=he6710b0_1
- ninja=1.9.0=py36hfd86e86_0
- numpy=1.17.3=py36hd14ec0e_0
- numpy-base=1.17.3=py36hde5b4d6_0
- oauthlib=3.1.0=py_0
- olefile=0.46=py36_0
- openssl=1.1.1h=h7b6447c_0
- pandas=0.25.3=py36he6710b0_0
- parso=0.8.0=py_0
- pcre=8.43=he6710b0_0
- pexpect=4.8.0=py36_0
- pickleshare=0.7.5=py36_0
- pillow=6.2.1=py36h34e0f95_0
- pip=19.3.1=py36_0
- pixman=0.38.0=h7b6447c_0
- prompt-toolkit=3.0.8=py_0
- protobuf=3.11.0=py36he1b5a44_0
- ptyprocess=0.6.0=py36_0
- py-boost=1.67.0=py36h04863e7_4
- pyasn1=0.4.8=py_0
- pyasn1-modules=0.2.7=py_0
- pycparser=2.19=py36_0
- pygments=2.7.1=py_0
- pyjwt=1.7.1=py36_0
- pyopenssl=19.1.0=py36_0
- pyparsing=2.4.5=py_0
- pyqt=5.9.2=py36h05f1152_2
- pysocks=1.7.1=py36_0
- python=3.6.8=h0371630_0
- python-dateutil=2.8.1=py_0
- python_abi=3.6=1_cp36m
- pytorch=1.3.1=py3.6_cuda10.0.130_cudnn7.6.3_0
- pytz=2019.3=py_0
- pyzmq=19.0.2=py36he6710b0_1
- qt=5.9.7=h5867ecd_1
- rdkit=2019.03.4.0=py36hc20afe1_1
- readline=7.0=h7b6447c_5
- requests=2.22.0=py36_1
- requests-oauthlib=1.3.0=py_0
- rsa=4.0=py_0
- scikit-learn=0.20.2=py36hd81dba3_0
- scipy=1.3.1=py36h7c811a0_0
- setuptools=41.6.0=py36_0
- sip=4.19.8=py36hf484d3e_0
- six=1.13.0=py36_0
- sqlite=3.30.1=h7b6447c_0
- tensorboard=2.1.0=py3_0
- threadpoolctl=2.1.0=pyh5ca1d4c_0
- tk=8.6.8=hbc83047_0
- torchvision=0.4.2=py36_cu100
- tornado=6.0.3=py36h7b6447c_0
- tqdm=4.42.0=py_0
- traitlets=4.3.3=py36_0
- urllib3=1.25.8=py36_0
- wcwidth=0.2.5=py_0
- werkzeug=0.16.0=py_0
- wheel=0.33.6=py36_0
- xz=5.2.4=h14c3975_4
- zeromq=4.3.3=he6710b0_3
- zlib=1.2.11=h7b6447c_3
- zstd=1.3.7=h0b5b093_0
- pip:
- fcd-torch==1.0.7
- molsets==0.3.1
- networkx==2.5.1
- pomegranate==0.12.0
- pyyaml==5.4.1
- seaborn==0.11.1