AruShar

Query

4

I mean ,in this reaction [F:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([F:9])[c:6]([F:8])[cH:7]1.[NH2:13][c:14]1[s:15][cH:16][cH:17][c:18]1[C:19]#[N:20]>>[c:2]1([NH:13][c:14]2[s:15][cH:16][cH:17][c:18]2[C:19]#[N:20])[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([F:9])[c:6]([F:8])[cH:7]1 ,,, what these numbers are indicating.

May I Know what format you have used to save reactions in test train and valid files.

pybind11::handle::inc_ref() is being called while the GIL is either not held or invalid.

1

In KG embedding, Link Prediction task, while executing 'python evaluate_transe_transductive.py', pybind11 error is popping out, ------------- link_prediction -------------- effective triplets: 14 / 14 effective filter triplets: 43160 / 43160 pybind11::handle::inc_ref()...