mbapy>=0.11.7
pygame
nicegui
openbabel-wheel
networkx>=3
rich>=10.0.0
DuIvyTools>=0.6.0
toml
MDAnalysis>=2.9.0
compas>=2.8.0
fplip>=1.1.0
vina>=1.2.5
alchemlyb>=2.0.0
pymbar>=4.0.1
parmed>=4.1.0
toff==0.2.0
rdkit
openmmforcefields>=0.14.1
pyyaml

[all]
mbapy>=0.11.7
pygame
nicegui
openbabel-wheel
networkx>=3
rich>=10.0.0
DuIvyTools>=0.6.0
toml
MDAnalysis>=2.9.0
compas>=2.8.0
fplip>=1.1.0
vina>=1.2.5
alchemlyb>=2.0.0
pymbar>=4.0.1
parmed>=4.1.0
toff==0.2.0
rdkit
openmmforcefields>=0.14.1
pyyaml
md-davis
lazydock_md_task>=0.2.1
