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environment_scoring.yml
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name: scoring37
channels:
- defaults
- bioconda
- conda-forge
- imperial-college-research-computing
dependencies:
- _libgcc_mutex=0.1=conda_forge
- _openmp_mutex=4.5=2_kmp_llvm
- _py-xgboost-mutex=2.0=cpu_0
- astunparse=1.6.3=py_0
- blas=2.11=openblas
- blosc=1.21.0=h4ff587b_1
- boost=1.74.0=py37h796e4cb_5
- boost-cpp=1.74.0=h312852a_4
- bottleneck=1.3.5=py37h7deecbd_0
- brotli=1.0.9=h5eee18b_7
- brotli-bin=1.0.9=h5eee18b_7
- bzip2=1.0.8=h7b6447c_0
- c-ares=1.18.1=h7f8727e_0
- ca-certificates=2022.07.19=h06a4308_0
- cairo=1.16.0=h19f5f5c_2
- certifi=2022.9.24=py37h06a4308_0
- cycler=0.11.0=pyhd3eb1b0_0
- fontconfig=2.13.1=h6c09931_0
- fonttools=4.25.0=pyhd3eb1b0_0
- freetype=2.11.0=h70c0345_0
- giflib=5.2.1=h7b6447c_0
- glib=2.69.1=h4ff587b_1
- greenlet=1.1.1=py37h295c915_0
- hdf5=1.12.1=h69dfa17_1
- icu=68.1=h2531618_0
- importlib-metadata=4.11.3=py37h06a4308_0
- joblib=1.1.0=pyhd3eb1b0_0
- jpeg=9e=h7f8727e_0
- kiwisolver=1.4.2=py37h295c915_0
- krb5=1.19.2=hac12032_0
- lcms2=2.12=h3be6417_0
- ld_impl_linux-64=2.38=h1181459_1
- lerc=3.0=h295c915_0
- libblas=3.8.0=11_openblas
- libbrotlicommon=1.0.9=h5eee18b_7
- libbrotlidec=1.0.9=h5eee18b_7
- libbrotlienc=1.0.9=h5eee18b_7
- libcblas=3.8.0=11_openblas
- libcurl=7.84.0=h91b91d3_0
- libdeflate=1.8=h7f8727e_5
- libedit=3.1.20210910=h7f8727e_0
- libev=4.33=h7f8727e_1
- libffi=3.3=he6710b0_2
- libgcc-ng=12.1.0=h8d9b700_16
- libgfortran-ng=7.5.0=ha8ba4b0_17
- libgfortran4=7.5.0=ha8ba4b0_17
- libiconv=1.16=h7f8727e_2
- liblapack=3.8.0=11_openblas
- liblapacke=3.8.0=11_openblas
- libnghttp2=1.46.0=hce63b2e_0
- libopenblas=0.3.6=h5a2b251_2
- libpng=1.6.37=hbc83047_0
- libssh2=1.10.0=h8f2d780_0
- libstdcxx-ng=11.2.0=h1234567_1
- libtiff=4.4.0=hecacb30_0
- libuuid=1.0.3=h7f8727e_2
- libwebp=1.2.2=h55f646e_0
- libwebp-base=1.2.2=h7f8727e_0
- libxcb=1.15=h7f8727e_0
- libxgboost=1.2.0=he1b5a44_0
- libxml2=2.9.12=h72842e0_0
- libzlib=1.2.12=h166bdaf_3
- llvm-openmp=14.0.6=h9e868ea_0
- lz4-c=1.9.3=h295c915_1
- lzo=2.10=h7b6447c_2
- matplotlib-base=3.5.2=py37hf590b9c_0
- mdtraj=1.9.7=py37h527cbdb_1
- mgltools=1.5.7=h9ee0642_1
- mock=4.0.3=pyhd3eb1b0_0
- munkres=1.1.4=py_0
- ncurses=6.3=h5eee18b_3
- numexpr=2.8.1=py37hecfb737_0
- numpy=1.21.5=py37h7a5d4dd_2
- numpy-base=1.21.5=py37hb8be1f0_2
- openbabel=3.1.1=py37h6aa62a1_3
- openssl=1.1.1q=h7f8727e_0
- packaging=21.3=pyhd3eb1b0_0
- pandas=1.3.0=py37h295c915_0
- pcre=8.45=h295c915_0
- pillow=9.2.0=py37hace64e9_1
- pip=22.1.2=py37h06a4308_0
- pixman=0.40.0=h7f8727e_1
- py-xgboost=1.2.0=py37hc8dfbb8_0
- pycairo=1.21.0=py37h287db57_0
- pyparsing=3.0.9=py37h06a4308_0
- pytables=3.7.0=py37h9da3b7f_0
- python=3.7.13=h12debd9_0
- python-dateutil=2.8.2=pyhd3eb1b0_0
- python_abi=3.7=2_cp37m
- pytz=2022.1=py37h06a4308_0
- rdkit=2020.09.5=py37he53b9e1_0
- readline=8.1.2=h7f8727e_1
- reportlab=3.5.67=py37hfdd840d_1
- scikit-learn=1.0.2=py37h51133e4_1
- scipy=1.5.3=py37h8911b10_0
- setuptools=63.4.1=py37h06a4308_0
- six=1.16.0=pyhd3eb1b0_1
- snappy=1.1.9=h295c915_0
- sqlalchemy=1.4.39=py37h5eee18b_0
- sqlite=3.39.2=h5082296_0
- threadpoolctl=2.2.0=pyh0d69192_0
- tk=8.6.12=h1ccaba5_0
- typing_extensions=4.3.0=py37h06a4308_0
- wheel=0.37.1=pyhd3eb1b0_0
- xgboost=1.2.0=py37h3340039_0
- xz=5.2.5=h7f8727e_1
- zipp=3.8.0=py37h06a4308_0
- zlib=1.2.12=h5eee18b_3
- zstd=1.5.2=ha4553b6_0
- pip:
- configargparser==0.0.2
- cython==0.29.32
prefix: /rds/general/user/rh1119/home/anaconda3/envs/scoring37