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raspdml.yml
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raspdml.yml
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name: raspdml
channels:
- defaults
- rdkit
dependencies:
- ipykernel=5.1.0
- ipython=7.3.0
- ipython_genutils=0.2.0
- jupyter_client=5.2.4
- jupyter_core=4.4.0
- libgcc-ng=8.2.0
- libsodium=1.0.16
- libstdcxx-ng=8.2.0
- pexpect=4.6.0
- pip=19.0.3
- prompt_toolkit=2.0.9
- python=3.6
- rdkit
- traitlets=4.3.2
- xz=5.2.4
- zeromq=4.3.1
- zlib=1.2.11
- pip:
- absl-py==0.6.1
- astetik==1.9.5
- astor==0.7.1
- atomicwrites==1.3.0
- attrs==19.1.0
- backcall==0.1.0
- biopython==1.72
- bleach==3.1.0
- brewer2mpl==1.4.1
- chances==0.1.1
- chardet==3.0.4
- click==7.0
- cycler==0.10.0
- cython==0.29.3
- decorator==4.3.0
- defusedxml==0.5.0
- dill==0.2.9
- dominate==2.3.5
- entrypoints==0.3
- enum34==1.1.6
- flask==0.12.4
- flask-appconfig==0.11.1
- flask-bootstrap==3.3.7.1
- flask-debug==0.4.3
- flask-nav==0.6
- flask-session==0.3.1
- flask-wtf==0.14.2
- future==0.17.1
- gast==0.2.2
- geonamescache==1.0.1
- ggplot==0.11.5
- griddataformats==0.4.0
- grpcio==1.17.1
- h5py==2.6.0
- idna==2.8
- inflection==0.3.1
- innvestigate==1.0.8
- ipython-genutils==0.2.0
- ipywidgets==7.4.2
- itsdangerous==1.1.0
- jedi==0.13.1
- jinja2==2.10
- jsonschema==2.6.0
- jupyter==1.0.0
- jupyter-console==6.0.0
- keras==2.2.4
- keras-applications==1.0.6
- keras-preprocessing==1.0.5
- kerasplotlib==0.1.4
- kiwisolver==1.0.1
- markdown==3.0.1
- markupsafe==1.1.0
- matplotlib==3.0.2
- mistune==0.8.4
- mlxtend==0.15.0.0
- more-itertools==7.0.0
- nbconvert==5.4.0
- nbformat==4.4.0
- nglview==1.1.7
- notebook==5.7.4
- npm==0.1.1
- numpy==1.16.0
- optional-django==0.1.0
- pandas==0.23.4
- pandocfilters==1.4.2
- parso==0.3.1
- patsy==0.5.1
- pickleshare==0.7.5
- pillow==5.3.0
- plotly==3.5.0
- pluggy==0.9.0
- prince==0.5.2
- prometheus-client==0.5.0
- prompt-toolkit==2.0.7
- protobuf==3.6.1
- ptyprocess==0.6.0
- py==1.8.0
- pydot==1.4.1
- pygments==2.2.0
- pyparsing==2.3.0
- pytest==4.3.1
- python-dateutil==2.7.5
- pytraj==2.0.3
- pytz==2018.7
- pyyaml==3.13
- pyzmq==17.1.2
- qtconsole==4.4.3
- regex==2019.2.7
- requests==2.21.0
- retrying==1.3.3
- scikit-learn==0.20.2
- scipy==1.2.0
- seaborn==0.9.0
- send2trash==1.5.0
- setuptools==40.8.0
- six==1.12.0
- sklearn==0.0
- statsmodels==0.9.0
- talos==0.4.6
- tensorboard==1.12.2
- tensorflow==1.12.0
- termcolor==1.1.0
- terminado==0.8.1
- testpath==0.4.2
- theano==1.0.4
- tornado==5.1.1
- tqdm==4.29.1
- tzlocal==1.5.1
- urllib3==1.24.1
- visitor==0.1.3
- wcwidth==0.1.7
- webencodings==0.5.1
- werkzeug==0.14.1
- wheel==0.33.1
- widgetsnbextension==3.4.2
- wrangle==0.4.0
- wtforms==2.2.1
- xlrd==1.2.0