pydantic
pyyaml>=6.0.3
rdkit
tqdm>=4.67.1

[aizyn]
aizynthfinder==4.4.0
numpy<=2.2

[cli]
rich>=14.2.0

[dms]
directmultistep

[retro-star]
retro-star>=0.1.0
numpy<2
pandas<2.2
torch

[synplanner]
synplanner==1.2.0

[syntheseus]
syntheseus[local-retro]>=0.5.0
numpy<2
pandas<2.2
dgl
torch<=2.1
torchdata<=0.7.0
faiss-cpu
torch-scatter

[viz]
ischemist>=0.2.0
kaleido>=1.1.0
plotly>=6.3.0
