setuptools==69.5.1
torch==2.1.0
torchvision==0.16.0
fuse-med-ml==0.3.0
jsonargparse[signatures]==4.33.2
numpy==1.26.4
pandas==2.2.2
tqdm==4.66.5
rdkit-pypi==2022.9.5
regex==2024.9.11
biopython==1.84
datasets==2.12.0
pyarrow==12.0.0
openbabel-wheel==3.1.1.20
transformers==4.45.1
imageio==2.35.1
loralib==0.1.2
mplcursors==0.5.3
xgboost==2.0.3
joblib==1.3.2
x-transformers==1.27.19
lmdb==1.4.1
timm==0.9.16
litdata==0.2.6
torch_geometric==2.3.1
click==8.1.7
huggingface_hub==0.25.1

[dev]
jupyterlab==4.2.5
notebook==6.5.5
jupyter_nbextensions_configurator==0.6.4
nvitop==1.3.2
memory-profiler==0.61.0
seaborn==0.13.2
altair==5.4.1
umap-learn==0.5.6
exmol==3.0.3
nglview==3.0.8
pypdb==2.4
coverage==7.3.1
pytest==7.3.1
pytest-cov==4.1.0
