lightning==2.5.2
fsspec
torch
jupyter
hydra-core
hydra-colorlog
hydra-joblib-launcher
hydra-submitit-launcher
datasets<4.0.0,>=3.3.2
wandb
transformers
regex
more-itertools
torchdata>=0.9.0
rich
python-dotenv
jaxtyping
tensorboard
torch-ema
pydot
tabulate
pandas
simple_slurm
math-verify

[all]
safe-mol==0.1.14
datamol
rdkit
pytdc==0.4.1
bionemo-moco>=0.0.2.1
jaxtyping>=0.2.34
pot>=0.9.5
einops
pandas
easydict
openbabel-wheel==3.1.1.22
fcd-torch
fcd
transformers==4.57.1
setuptools<82.0.0
math-verify[antlr4_9_3]
mauve-text

[llm_eval]
math-verify[antlr4_9_3]

[mauve]
mauve-text

[molgen]
bionemo-moco>=0.0.2.1
jaxtyping>=0.2.34
pot>=0.9.5
einops
pandas
safe-mol==0.1.14
datamol
pytdc==0.4.1
easydict
openbabel-wheel==3.1.1.22
rdkit
fcd-torch
fcd
transformers==4.57.1
setuptools<82.0.0

[safe]
safe-mol==0.1.14
datamol
rdkit
pytdc==0.4.1
