jupyter-book==1.0.4
matplotlib
numpy
ipython
jax
jaxlib
flax
pandas
seaborn
tabulate
scikit-learn
pydot
pillow
mordredcommunity[full]
moviepy>=2.0
networkx
MDAnalysis
emlp
selfies
exmol
rdkit
sympy
e3nn
torch
torch_geometric
transformers
accelerate>=1.1.0
normflows
linkify-it-py
