ReactivityMap/rmap_env.yml at main · ZimmermanGroup/ReactivityMap · GitHub

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name: rmap
channels:
  - defaults
  - pyg
dependencies:
  - python=3.10
  - numpy
  - pandas
  - matplotlib
  - seaborn
  - scikit-learn
  - rdkit
  - black
  - parso
  - libcxx
  - tornado
  - bzip2
  - debugpy
  - matplotlib-inline
  - packaging
  - libsqlite
  - zlib
  - comm
  - setuptools
  - decorator
  - certifi
  - wcwidth
  - zeromq
  - libsodium
  - jedi
  - python-dateutil
  - ptyprocess
  - pexpect
  - executing
  - pickleshare
  - psutil
  - pyzmq
  - entrypoints
  - backcall
  - asttokens
  - wheel
  - xz
  - jupyter_client
  - tzdata
  - libzlib
  - ipython
  - pure_eval
  - ca-certificates
  - readline
  - nest-asyncio
  - jupyter_core
  - six
  - tk
  - libffi
  - traitlets
  - appnope
  - platformdirs
  - stack_data
  - pip
  - ncurses
  - pygments
  - prompt-toolkit
  - openssl
  - ipykernel
  - openpyxl
  - notebook
  - umap-learn
  - yaml
  - protobuf
  - conda=23.1.0
  - xlrd
  - xlwt
  - ipywidgets
  - mapie
  - networkx
  - mypy_extensions
  - optuna
  - scikit-posthocs
prefix: /opt/miniconda3/envs/rmap