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MD-IFP.yml
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MD-IFP.yml
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name: JN
channels:
- omnia
- conda-forge
- defaults
dependencies:
- _libgcc_mutex=0.1=main
- boost=1.72.0=py37h9de70de_0
- boost-cpp=1.72.0=h8e57a91_0
- bzip2=1.0.8=h516909a_1
- ca-certificates=2019.11.28=hecc5488_0
- cairo=1.16.0=hcf35c78_1003
- certifi=2019.11.28=py37hc8dfbb8_1
- fontconfig=2.13.1=h86ecdb6_1001
- freetype=2.10.1=he06d7ca_0
- gettext=0.19.8.1=hc5be6a0_1002
- glib=2.58.3=py37he00f558_1003
- icu=64.2=he1b5a44_1
- jpeg=9c=h14c3975_1001
- libblas=3.8.0=14_openblas
- libcblas=3.8.0=14_openblas
- libffi=3.2.1=he1b5a44_1006
- libgcc-ng=9.1.0=hdf63c60_0
- libgfortran-ng=7.3.0=hdf63c60_5
- libiconv=1.15=h516909a_1006
- liblapack=3.8.0=14_openblas
- libopenblas=0.3.7=h5ec1e0e_6
- libpng=1.6.37=hed695b0_1
- libstdcxx-ng=9.1.0=hdf63c60_0
- libtiff=4.1.0=hc7e4089_6
- libuuid=2.32.1=h14c3975_1000
- libwebp-base=1.1.0=h516909a_3
- libxcb=1.13=h14c3975_1002
- libxml2=2.9.10=hee79883_0
- lz4-c=1.8.3=he1b5a44_1001
- ncurses=6.1=hf484d3e_1002
- olefile=0.46=py_0
- openssl=1.1.1e=h516909a_0
- pandas=1.0.1=py37hb3f55d8_0
- parmed=3.2.0=py37_0
- pcre=8.44=he1b5a44_0
- pillow=7.0.0=py37h718be6c_1
- pip=19.3.1=py37_0
- pixman=0.38.0=h516909a_1003
- pthread-stubs=0.4=h14c3975_1001
- pycairo=1.19.1=py37h01af8b0_3
- python=3.7.3=h33d41f4_1
- python-dateutil=2.8.1=py_0
- python_abi=3.7=1_cp37m
- pytz=2019.3=py_0
- rdkit=2019.09.3=py37he9dd633_1
- readline=8.0=hf8c457e_0
- setuptools=42.0.1=py37_0
- sqlite=3.30.1=hcee41ef_0
- tk=8.6.10=hed695b0_0
- wheel=0.33.6=py37_0
- xorg-kbproto=1.0.7=h14c3975_1002
- xorg-libice=1.0.10=h516909a_0
- xorg-libsm=1.2.3=h84519dc_1000
- xorg-libx11=1.6.9=h516909a_0
- xorg-libxau=1.0.9=h14c3975_0
- xorg-libxdmcp=1.1.3=h516909a_0
- xorg-libxext=1.3.4=h516909a_0
- xorg-libxrender=0.9.10=h516909a_1002
- xorg-renderproto=0.11.1=h14c3975_1002
- xorg-xextproto=7.3.0=h14c3975_1002
- xorg-xproto=7.0.31=h14c3975_1007
- xz=5.2.4=h14c3975_1001
- zlib=1.2.11=h516909a_1006
- zstd=1.4.4=h3b9ef0a_2
- pip:
- biopython==1.75
- cycler==0.10.0
- cython==0.29.14
- decorator==4.4.1
- griddataformats==0.5.0
- gsd==1.10.0
- joblib==0.14.1
- kiwisolver==1.1.0
- matplotlib==3.1.2
- mdanalysis==0.20.1
- --no-binary mdtraj==1.9.3
- mmtf-python==1.1.2
- mock==3.0.5
- msgpack==0.6.2
- networkx==2.4
- numpy==1.17.4
- pyparsing==2.4.5
- scipy==1.3.3
- seaborn==0.10.0
- six==1.13.0
- wget==3.2
- sklearn
- nglview
prefix: /exports/scratch/kokhda/anaconda/envs/JN