Hello everyone,
I'm currently experimenting with the Javascript wrapper for RDKit, thinking
that I could offload image generation and descriptor calculations to the
client.
I have a list of 1555 SMILES right now that I'm trying to convert to mol
objects with RDKit.get_mol(), but after successfully processing about
700-800 molecules I get an "abort(OOM)" exception. Any further calls to
get_mol() throw the same exception. The code is fairly basic:
molecules = []
for (smi,idx of smiles_list.entries()) {
mol = RDKit.get_mol(smi);
//image = mol.get_svg();
//descriptors = JSON.parse(mol.get_descriptors());
//molecules[idx] = {'image': image, 'desc': descriptors};
}
With this, I could process about 830 molecules.
If I uncomment the lines, I could process about 700.
I'm fairly new to JS development, so I'm not really sure what I'm doing
wrong.
Best,
Adam
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