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requirements.txt
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absl_py==1.2.0
aiohttp==3.8.1
aiosignal==1.2.0
arff==0.9
argon2_cffi==21.3.0
argon2_cffi_bindings==21.2.0
ase==3.22.1
async_generator==1.10
async_timeout==4.0.2
attrs==21.4.0
backcall==0.2.0
backports.shutil_get_terminal_size==1.0.0
backports_abc==0.5
bcrypt==3.2.0
bitstring==3.1.9
bleach==4.1.0
cachetools==5.2.0
certifi==2021.10.8
cffi==1.15.0
chardet==4.0.0
charset_normalizer==2.0.11
cryptography==36.0.1
cycler==0.11.0
Cython==0.29.27
deap==1.0.1
debugpy==1.5.1
decorator==5.1.1
defusedxml==0.7.1
dill==0.3.6
dnspython==2.2.0
ecdsa==0.17.0
entrypoints==0.4
fire==0.4.0
fonttools==4.29.1
frozenlist==1.3.0
fsspec==2022.7.1
funcsigs==1.0.2
global-chem==1.8
google_auth==2.9.1
google_auth_oauthlib==0.4.6
group-selfies @ git+https://github.com/aspuru-guzik-group/group-selfies.git
grpcio==1.47.0
idna==3.3
importlib_metadata==4.10.1
importlib_resources==5.4.0
ipykernel==6.0.3
ipython==7.31.1
ipython_genutils==0.2.0
ipywidgets==7.6.5
jedi==0.18.1
Jinja2==3.0.3
joblib==1.1.0
jsonschema==4.4.0
jupyter-client==6.1.12
jupyter_core==4.9.1
jupyterlab_pygments==0.1.2
jupyterlab_widgets==1.0.2
kiwisolver==1.3.2
lockfile==0.12.2
mapchiral==0.0.5
Markdown==3.4.1
MarkupSafe==2.1.1
matplotlib==3.5.1
matplotlib_inline==0.1.3
mistune==0.8.4
mock==4.0.3
morfeus-ml==0.7.1
mpmath==1.2.1
multidict==6.0.2
nbclient==0.5.10
nbconvert==6.4.2
nbformat==5.1.3
nest_asyncio==1.5.4
netaddr==0.8.0
netifaces==0.11.0
networkx==3.0
nose==1.3.7
notebook==6.4.8
numpy==1.22.2
oauthlib==3.2.0
openbabel==3.1.1.1
packaging==21.3
pandas==1.4.0
pandocfilters==1.5.0
paramiko==2.9.2
parso==0.8.3
path==16.3.0
path.py==12.5.0
pathlib2==2.3.6
paycheck==1.0.2
pbr==5.8.1
Pebble==5.0.6
pexpect==4.8.0
pickleshare==0.7.5
Pillow==9.0.1
Pint==0.0.0
prometheus_client==0.13.1
prompt_toolkit==3.0.26
protobuf==3.19.4
ptyprocess==0.7.0
pyasn1==0.4.8
pyasn1-modules==0.2.8
pycparser==2.21
pydantic==1.9.1
pyDeprecate==0.3.2
Pygments==2.11.2
PyNaCl==1.5.0
pyparsing==3.0.7
pyrsistent==0.18.1
python-dateutil==2.8.2
pytorch-lightning==1.7.0
pytz==2021.3
PyYAML==6.0
pyzmq==22.3.0
qcelemental==0.24.0
rdkit==2022.3.5
requests==2.27.1
requests_oauthlib==1.3.1
rsa==4.9
scikit_learn==1.1.1
scipy==1.8.0
seaborn==0.11.2
selfies==2.1.1
Send2Trash==1.8.0
simplegeneric==0.8.1
singledispatch==3.7.0
six==1.16.0
sympy==1.9
tensorboard==2.9.1
tensorboard-data-server==0.6.1
tensorboard_plugin_wit==1.8.1
termcolor==1.1.0
terminado==0.13.1
testpath==0.5.0
threadpoolctl==3.1.0
torch==1.10.0
torchmetrics==0.9.3
tornado==6.1
tqdm==4.64.0
traitlets==5.0.5
typing_extensions==4.0.1
urllib3==1.26.8
wcwidth==0.2.5
webencodings==0.5.1
Werkzeug==2.2.1
widgetsnbextension==3.5.2
xtb-python==20.1
yarl==1.7.2
zipp==3.7.0