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When I run the example codes as follows
# loading models mol_mp = builders.Vanilla_Builder('ckpt/molmp_0/', gpu_id=0) res = mol_mp.sample(100)
I got the error info as follows:
[09:24:17] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 7 8 9 11 12 13 17 RDKit ERROR: [09:24:17] Can't kekulize mol. Unkekulized atoms: 1 2 3 5 7 8 9 11 12 13 17 RDKit ERROR: [09:24:17] Can't kekulize mol. Unkekulized atoms: 3 5 7 RDKit ERROR: [09:24:17] Can't kekulize mol. Unkekulized atoms: 3 5 7 RDKit ERROR: [09:24:22] Can't kekulize mol. Unkekulized atoms: 3 4 5 6 8 9 10 11 12 13 27 RDKit ERROR: [09:24:22] Can't kekulize mol. Unkekulized atoms: 3 4 5 6 8 9 10 11 12 13 27 RDKit ERROR: [09:24:22] Explicit valence for atom # 38 N, 4, is greater than permitted RDKit ERROR: [09:24:22] Explicit valence for atom # 38 N, 4, is greater than permitted 98
Is this a normal phenomenon? Many thanks.
The text was updated successfully, but these errors were encountered:
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When I run the example codes as follows
I got the error info as follows:
Is this a normal phenomenon? Many thanks.
The text was updated successfully, but these errors were encountered: