Molecule Visualizations

I’ve been looking at the wandb.Molecule object and it looks awesome! I’d like to use it for small molecules, but converting molecules to one of the specified file types is a bit of a pain point for me. Any chance of one day being able to create Molecule objects straight from a SMILES string?

1 Like

Hi @rex-boyce! :wave:
Welcome to the forums!

I’m looking into this and will get a response from the team :+1:

Meanwhile, please do introduce yourself in the #start-here thread if you’d like :slight_smile:

Hi :wave:
Can you elaborate on your process, have you been able to convert from a SMILES string into a Molecule object?
Here are the supported filetypes at the moment:
'pdb', 'pqr', 'mmcif', 'mcif', 'cif', 'sdf', 'sd', 'gro', 'mol2', 'mmtf'

This website can convert from SMILES into some of the supported filetypes: Online SMILES Translator

2 Likes