requirements.txt

asttokens==2.4.1
colorama==0.4.6
comm==0.2.1
debugpy==1.8.1
decorator==5.1.1
executing==2.0.1
ipykernel==6.29.3
ipython==8.22.2
jedi==0.19.1
jupyter_client==8.6.0
jupyter_core==5.7.1
matplotlib-inline==0.1.6
nest-asyncio==1.6.0
numpy==1.26.4
packaging==23.2
pandas==2.2.1
parso==0.8.3
pillow==10.2.0
platformdirs==4.2.0
prompt-toolkit==3.0.43
psutil==5.9.8
pure-eval==0.2.2
Pygments==2.17.2
python-dateutil==2.9.0.post0
pytz==2024.1
pywin32==306
pyzmq==25.1.2
rdkit==2023.9.5
six==1.16.0
stack-data==0.6.3
standardiser==0.1.9
tornado==6.4
traitlets==5.14.1
tzdata==2024.1
wcwidth==0.2.13