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conda.yaml
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conda.yaml
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name: tg-experiments
channels:
- rdkit
- pytorch
- defaults
dependencies:
- attrs=19.1.0=py37_1
- backcall=0.1.0=py37_0
- blas=1.0=mkl
- bleach=3.1.0=py37_0
- bzip2=1.0.6=h14c3975_5
- ca-certificates=2019.1.23=0
- cairo=1.14.12=h8948797_3
- certifi=2019.3.9=py37_0
- cffi=1.12.2=py37h2e261b9_1
- cudatoolkit=10.0.130=0
- cudnn=7.3.1=cuda10.0_0
- cycler=0.10.0=py37_0
- dbus=1.13.6=h746ee38_0
- decorator=4.4.0=py37_1
- defusedxml=0.5.0=py37_1
- entrypoints=0.3=py37_0
- expat=2.2.6=he6710b0_0
- fontconfig=2.13.0=h9420a91_0
- freetype=2.9.1=h8a8886c_1
- glib=2.56.2=hd408876_0
- gmp=6.1.2=h6c8ec71_1
- gst-plugins-base=1.14.0=hbbd80ab_1
- gstreamer=1.14.0=hb453b48_1
- icu=58.2=h9c2bf20_1
- intel-openmp=2019.3=199
- ipykernel=5.1.0=py37h39e3cac_0
- ipython=7.4.0=py37h39e3cac_0
- ipython_genutils=0.2.0=py37_0
- jedi=0.13.3=py37_0
- jinja2=2.10.1=py37_0
- jpeg=9b=h024ee3a_2
- jsonschema=3.0.1=py37_0
- jupyter_client=5.2.4=py37_0
- jupyter_console=6.0.0=py37_0
- jupyter_core=4.4.0=py37_0
- jupyterlab=0.35.4=py37hf63ae98_0
- jupyterlab_server=0.2.0=py37_0
- kiwisolver=1.0.1=py37hf484d3e_0
- libboost=1.67.0=h46d08c1_4
- libedit=3.1.20181209=hc058e9b_0
- libffi=3.2.1=hd88cf55_4
- libgcc-ng=8.2.0=hdf63c60_1
- libgfortran-ng=7.3.0=hdf63c60_0
- libpng=1.6.36=hbc83047_0
- libsodium=1.0.16=h1bed415_0
- libstdcxx-ng=8.2.0=hdf63c60_1
- libtiff=4.0.10=h2733197_2
- libuuid=1.0.3=h1bed415_2
- libxcb=1.13=h1bed415_1
- libxml2=2.9.9=he19cac6_0
- markupsafe=1.1.1=py37h7b6447c_0
- matplotlib=3.0.3=py37h5429711_0
- mistune=0.8.4=py37h7b6447c_0
- mkl=2019.3=199
- mkl_fft=1.0.12=py37ha843d7b_0
- mkl_random=1.0.2=py37hd81dba3_0
- munch=2.3.2=py37_0
- nbconvert=5.4.1=py37_3
- nbformat=4.4.0=py37_0
- ncurses=6.1=he6710b0_1
- ninja=1.9.0=py37hfd86e86_0
- notebook=5.7.8=py37_0
- numpy-base=1.16.4=py37hde5b4d6_0
- olefile=0.46=py37_0
- openssl=1.1.1c=h7b6447c_1
- pandas=0.24.2=py37he6710b0_0
- pandoc=2.2.3.2=0
- pandocfilters=1.4.2=py37_1
- parso=0.3.4=py37_0
- pcre=8.43=he6710b0_0
- pexpect=4.6.0=py37_0
- pickleshare=0.7.5=py37_0
- pillow=5.4.1=py37h34e0f95_0
- pip=19.0.3=py37_0
- pixman=0.38.0=h7b6447c_0
- prometheus_client=0.6.0=py37_0
- prompt_toolkit=2.0.9=py37_0
- ptyprocess=0.6.0=py37_0
- py-boost=1.67.0=py37h04863e7_4
- pyaml=18.11.0=py37_0
- pycparser=2.19=py37_0
- pygments=2.3.1=py37_0
- pyparsing=2.4.0=py_0
- pyqt=5.9.2=py37h05f1152_2
- pyrsistent=0.14.11=py37h7b6447c_0
- python=3.7.3=h0371630_0
- python-dateutil=2.8.0=py37_0
- pytorch=1.1.0=py3.7_cuda10.0.130_cudnn7.5.1_0
- pytz=2018.9=py37_0
- pyyaml=5.1=py37h7b6447c_0
- pyzmq=18.0.0=py37he6710b0_0
- qt=5.9.7=h5867ecd_1
- rdkit=2019.03.1.0=py37hc20afe1_1
- readline=7.0=h7b6447c_5
- scikit-learn=0.20.3=py37hd81dba3_0
- scipy=1.2.1=py37h7c811a0_0
- send2trash=1.5.0=py37_0
- setuptools=41.0.0=py37_0
- sip=4.19.8=py37hf484d3e_0
- six=1.12.0=py37_0
- sqlite=3.27.2=h7b6447c_0
- terminado=0.8.1=py37_1
- testpath=0.4.2=py37_0
- tk=8.6.8=hbc83047_0
- tornado=6.0.2=py37h7b6447c_0
- tqdm=4.31.1=py37_1
- traitlets=4.3.2=py37_0
- wcwidth=0.1.7=py37_0
- webencodings=0.5.1=py37_1
- wheel=0.33.1=py37_0
- xz=5.2.4=h14c3975_4
- yaml=0.1.7=had09818_2
- zeromq=4.3.1=he6710b0_3
- zlib=1.2.11=h7b6447c_3
- zstd=1.3.7=h0b5b093_0
- pip:
- networkx==2.3
- numpy==1.16.4
- protobuf==3.7.1
- tensorboardx==1.6
- torch==1.1.0
- torch-scatter==1.2.0
- git+https://github.com/baldassarreFe/[email protected]#egg=torchgraphs