numpy>=1.21.1
pytest>=6.0.1
pytest-cov
scikit-learn
pandas>=1.3.1
matplotlib>=3.4.2
pyyaml>=5.4.1
tqdm
ase>=3.22.0
pymatgen>=2022.0.11
rdflib
torch>=1.10
rdkit-pypi
tensorboard>=2.4.1
jupyter>=1.0.0
chardet>=4.0.0
