# -- PyTorch and PyG Configuration --
--extra-index-url https://download.pytorch.org/whl/cu126
--find-links https://data.pyg.org/whl/torch-2.6.0+cu126.html

# -- Core ML & DS Stack --
torch==2.6.0
torchvision
torchaudio
pytorch-lightning
torchmetrics
torch_geometric
torch_scatter
torch_sparse
torch_cluster
torch_spline_conv
timm

# -- Project Specific --
fairchem-core>=1.10
fvcore
ase-db-backends
mendeleev
scikit-learn
rdkit

# -- Utilities --
wandb
ipdb
h5py
