jupyter-book==0.13.1
matplotlib
numpy
jax
jaxlib
pandas
tensorflow>=2.7
seaborn
tabulate
scikit-learn
pydot
pillow>=8.3.2
mordred[full]
moviepy
networkx
MDAnalysis
emlp==1.0.2
tensorflow-probability
dm-haiku
selfies
tensorflowjs
exmol
rdkit>=2022
sympy
e3nn
torch==1.12
simpletransformers==0.63.9
linkify-it-py
