requirements-frozen.txt

alabaster==0.7.13
appnope==0.1.3
asttokens==2.4.1
Babel==2.13.1
blinker==1.7.0
certifi==2023.11.17
charset-normalizer==3.3.2
chemfunc @ git+https://github.com/swansonk14/chem_utils@e8afe20e657b4514080df80adfa9771dd12de7a7
chemprop @ git+https://github.com/chemprop/chemprop@d2b243939f12e22b3a1d0a4b2d3599852975cf2b
click==8.1.7
cloudpickle==3.0.0
contourpy==1.2.0
cycler==0.12.1
decorator==5.1.1
descriptastorus @ git+https://github.com/bp-kelley/descriptastorus@da9760932ab9a78b116bc697795dd9e1798f087a
docstring-parser==0.15
docutils==0.20.1
exceptiongroup==1.2.0
executing==2.0.1
filelock==3.13.1
Flask==3.0.0
fonttools==4.45.0
fsspec==2023.10.0
future==0.18.3
hyperopt==0.2.7
idna==3.4
imagesize==1.4.1
ipdb==0.13.13
ipython==8.17.2
itsdangerous==2.1.2
jedi==0.19.1
Jinja2==3.1.2
joblib==1.3.2
kiwisolver==1.4.5
llvmlite==0.41.1
MarkupSafe==2.1.3
matplotlib==3.8.2
matplotlib-inline==0.1.6
mpmath==1.3.0
mypy-extensions==1.0.0
networkx==3.2.1
numba==0.58.1
numpy==1.26.2
packaging==23.2
pandas==2.1.3
pandas-flavor==0.6.0
parso==0.8.3
pexpect==4.8.0
Pillow==10.1.0
prompt-toolkit==3.0.41
protobuf==4.25.1
ptyprocess==0.7.0
pure-eval==0.2.2
py4j==0.10.9.7
Pygments==2.17.1
pynndescent==0.5.11
pyparsing==3.1.1
python-dateutil==2.8.2
pytz==2023.3.post1
rdkit==2023.9.1
requests==2.31.0
scikit-learn==1.3.2
scipy==1.11.4
six==1.16.0
snowballstemmer==2.2.0
Sphinx==7.2.6
sphinxcontrib-applehelp==1.0.7
sphinxcontrib-devhelp==1.0.5
sphinxcontrib-htmlhelp==2.0.4
sphinxcontrib-jsmath==1.0.1
sphinxcontrib-qthelp==1.0.6
sphinxcontrib-serializinghtml==1.1.9
stack-data==0.6.3
sympy==1.12
tensorboardX==2.6.2.2
threadpoolctl==3.2.0
tomli==2.0.1
torch==2.1.1
torchaudio==2.1.1
torchvision==0.16.1
tqdm==4.66.1
traitlets==5.13.0
typed-argument-parser==1.9.0
typing-inspect==0.9.0
typing_extensions==4.8.0
tzdata==2023.3
umap-learn==0.5.5
urllib3==2.1.0
wcwidth==0.2.11
Werkzeug==3.0.1
xarray==2023.11.0