Hi,
I run preprocess.py in generation folder and an error raise:
python preprocess.py --train ../data/polymers/train.txt --vocab ../data/polymers/inter_vocab.txt --ncpu 8
multiprocessing.pool.RemoteTraceback:
"""
Traceback (most recent call last):
File "/home/was/.conda/envs/torch14/lib/python3.8/multiprocessing/pool.py", line 125, in worker
result = (True, func(*args, **kwds))
File "/home/was/.conda/envs/torch14/lib/python3.8/multiprocessing/pool.py", line 48, in mapstar
return list(map(*args))
File "preprocess.py", line 19, in tensorize
x = MolGraph.tensorize(mol_batch, vocab, common_atom_vocab)
File "/data/was/capsulegraphvae/hg2g/generation/poly_hgraph/mol_graph.py", line 169, in tensorize
tree_tensors, tree_batchG = MolGraph.tensorize_graph([x.mol_tree for x in mol_batch], vocab)
File "/data/was/capsulegraphvae/hg2g/generation/poly_hgraph/mol_graph.py", line 210, in tensorize_graph
fnode[v] = vocab[attr]
File "/data/was/capsulegraphvae/hg2g/generation/poly_hgraph/vocab.py", line 43, in __getitem__
return self.hmap[x[0]], self.vmap[x]
KeyError: 'O=C1NC(=O)C2=C(F)C=C3C(=O)NC(=O)C4=C3C2=C1C=C4F'
"""
The above exception was the direct cause of the following exception:
Traceback (most recent call last):
File "preprocess.py", line 48, in <module>
all_data = pool.map(func, batches)
File "/home/was/.conda/envs/torch14/lib/python3.8/multiprocessing/pool.py", line 364, in map
return self._map_async(func, iterable, mapstar, chunksize).get()
File "/home/was/.conda/envs/torch14/lib/python3.8/multiprocessing/pool.py", line 768, in get
raise self._value
KeyError: 'O=C1NC(=O)C2=C(F)C=C3C(=O)NC(=O)C4=C3C2=C1C=C4F'
but I cannot find the smiles "O=C1NC(=O)C2=C(F)C=C3C(=O)NC(=O)C4=C3C2=C1C=C4F" in the texts. Do you know what happens and how to debug? Thank you in advance.
Hi, I run preprocess.py in generation folder and an error raise:
but I cannot find the smiles "O=C1NC(=O)C2=C(F)C=C3C(=O)NC(=O)C4=C3C2=C1C=C4F" in the texts. Do you know what happens and how to debug? Thank you in advance.