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environment.yml
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environment.yml
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name: FORMED
channels:
- defaults
dependencies:
- _libgcc_mutex=0.1
- _openmp_mutex=5.1
- asttokens=2.0.5
- backcall=0.2.0
- ca-certificates=2022.10.11
- certifi=2022.12.7
- decorator=5.1.1
- executing=0.8.3
- jedi=0.18.1
- ld_impl_linux-64=2.38
- libffi=3.4.2
- libgcc-ng=11.2.0
- libgomp=11.2.0
- libstdcxx-ng=11.2.0
- ncurses=6.3
- openssl=1.1.1s
- parso=0.8.3
- pexpect=4.8.0
- pickleshare=0.7.5
- pip=22.3.1
- prompt-toolkit=3.0.20
- ptyprocess=0.7.0
- pure_eval=0.2.2
- pygments=2.11.2
- python=3.8.15
- readline=8.2
- setuptools=65.5.0
- six=1.16.0
- sqlite=3.40.0
- stack_data=0.2.0
- tk=8.6.12
- wcwidth=0.2.5
- wheel=0.37.1
- xz=5.2.8
- zlib=1.2.13
- pip:
- ase==3.22.1
- bottleneck==1.3.5
- contourpy==1.0.6
- cycler==0.11.0
- debugpy==1.5.1
- dpcpp-cpp-rt==2023.0.0
- entrypoints==0.4
- fonttools==4.38.0
- intel-cmplr-lib-rt==2023.0.0
- intel-cmplr-lic-rt==2023.0.0
- intel-opencl-rt==2023.0.0
- intel-openmp==2023.0.0
- ipykernel==6.9.1
- ipython==8.4.0
- joblib==1.1.1
- jupyter-client==7.2.2
- jupyter-core==4.10.0
- kiwisolver==1.4.4
- matplotlib==3.6.2
- matplotlib-inline==0.1.2
- mkl==2023.0.0
- mkl-fft==1.3.1
- mkl-random==1.2.2
- mkl-service==2.4.0
- munkres==1.1.4
- nest-asyncio==1.5.5
- networkx==2.8.4
- numexpr==2.8.4
- numpy==1.22.4
- packaging==22.0
- pandas==1.5.2
- pillow==9.3.0
- ply==3.11
- psutil==5.9.0
- pyparsing==3.0.9
- pyqt5-sip==12.11.0
- python-dateutil==2.8.2
- pytz==2022.7
- pyzmq==23.2.0
- qml==0.4.0.27
- scikit-learn==1.1.3
- scipy==1.9.3
- seaborn==0.12.1
- sip==6.6.2
- tbb==2021.8.0
- toml==0.10.2
- tornado==6.1
- traitlets==5.1.1
- xgboost==1.5.0