pyyaml
numpy
importlib_metadata
MDAnalysis

[all]
kimmdy[plugins]
kimmdy[analysis]

[analysis]
pandas
matplotlib
seaborn

[dimerization]
kimmdy-dimerization

[grappa]
kimmdy-grappa
grappa-ff
torch

[hat]
kimmdy-hat

[hydrolysis]
kimmdy-hydrolysis

[plugins]
kimmdy[dimerization]
kimmdy[reactions]
kimmdy[hat]
kimmdy[grappa]
kimmdy[hydrolysis]

[reactions]
kimmdy-reactions
