neoralab-openff-units
neoralab-openff-utilities
neoralab-openff-toolkit
openff-interchange
nonbonded-plugins
neoralab-openff-forcefields
numpy<2.3,>=2.2
pydantic<3,>=2
python-constraint>=1.4
rdkit>=2024
openmm==8.4.*
openmmforcefields
pint<0.26,>=0.24
packaging
typing_extensions
requests
tqdm
click<9,>=8
PyYAML
networkx
cachetools
lxml
toml
msgpack
xmltodict<=1.0.2
