Closed AndyDanian closed 3 months ago
Check molecule.py and jupyter 08. Moreover, there are new files into workflow, they are different molecule format file.
The files formats allowing by rdkit, they are in the website: https://www.rdkit.org/docs/source/rdkit.Chem.rdmolfiles.html#rdkit.Chem.rdmolfiles.MolFromMol2Block
Check molecule.py and jupyter 08. Moreover, there are new files into workflow, they are different molecule format file.
The files formats allowing by rdkit, they are in the website: https://www.rdkit.org/docs/source/rdkit.Chem.rdmolfiles.html#rdkit.Chem.rdmolfiles.MolFromMol2Block