numpy==1.21.6
pandas==1.3.5
pyyaml==6.0
scipy==1.7.3
fabric==2.6.0
paramiko==3.1.0
pymongo==4.3.2
appdirs==1.4.4
ipywidgets==8.0.6
py3Dmol==1.8.1
rdkit
openbabel
