fused_multi_tensor is not installed corrected

[KrFrandsen]

Hi Could you help me regarding this output:

python single_case_prediction.py --conf P2Y14_example/hparams.yaml --ckpt_path ckpts/with_ligand.ckpt --input_fn P2Y14_example/P2Y14_AF.pdb,P2Y14_example/GDP.sdf --out_path P2Y14_example/ --output_fn P2Y14_af_GDP.txt

fused_multi_tensor is not installed corrected fused_rounding is not installed corrected fused_layer_norm is not installed corrected fused_softmax is not installed corrected Loading pretrained weights from /usr/local/DeepGlycanSite/src/unimol_tools/weights/mol_pre_all_h_220816.pt P2Y14_example/GDP.sdf Nc1nc2c(ncn2[C@@H]2OC@HC@@H[C@H]2O)c(=O)[nH]1 1it [00:00, 9.24it/s] 256 8 7 7 0.1468558190536503
256 8 7 7 0.1468558190536503 GPU available: True (cuda), used: False TPU available: False, using: 0 TPU cores IPU available: False, using: 0 IPUs HPU available: False, using: 0 HPUs Testing DataLoader 0: 0%| | 0/1 [00:00<?, ?it/s]P2Y14_example/P2Y14_af_GDP.txt result_file Testing DataLoader 0: 100%|████████████████████████████████████████████████████████████████████████████████████| 1/1 [00:01<00:00, 1.20s/it] ───────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────── Test metric DataLoader 0 ───────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────── test_loss 0.0 ─────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────

[Xinheng-He]

see output in P2Y14_example/P2Y14_af_GDP.txt

[KrFrandsen]

more P2Y14_af_GDP.txt

P2Y14_AF tensor([0.0794]) P2Y14_AF tensor([0.0427]) P2Y14_AF tensor([0.0461]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.0556]) P2Y14_AF tensor([0.0483]) P2Y14_AF tensor([0.1284]) P2Y14_AF tensor([0.1330]) P2Y14_AF tensor([0.1208]) P2Y14_AF tensor([0.0669]) P2Y14_AF tensor([0.1557]) P2Y14_AF tensor([0.0527]) P2Y14_AF tensor([0.0515]) P2Y14_AF tensor([0.0636]) P2Y14_AF tensor([0.0435]) P2Y14_AF tensor([0.2828]) P2Y14_AF tensor([0.0477]) P2Y14_AF tensor([0.0631]) P2Y14_AF tensor([0.0434]) P2Y14_AF tensor([0.0485]) P2Y14_AF tensor([0.0912]) P2Y14_AF tensor([0.0782]) P2Y14_AF tensor([0.0448]) P2Y14_AF tensor([0.0445]) P2Y14_AF tensor([0.0525]) P2Y14_AF tensor([0.0429]) P2Y14_AF tensor([0.0433]) P2Y14_AF tensor([0.0436]) P2Y14_AF tensor([0.0432]) P2Y14_AF tensor([0.0454]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0695]) P2Y14_AF tensor([0.0430]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0429]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0426]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0426]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0432]) P2Y14_AF tensor([0.0444]) P2Y14_AF tensor([0.0432]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0436]) P2Y14_AF tensor([0.0452]) P2Y14_AF tensor([0.1061]) P2Y14_AF tensor([0.0460]) P2Y14_AF tensor([0.0846]) P2Y14_AF tensor([0.0478]) P2Y14_AF tensor([0.0920]) P2Y14_AF tensor([0.0588]) P2Y14_AF tensor([0.0801]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0675]) P2Y14_AF tensor([0.1514]) P2Y14_AF tensor([0.0785]) P2Y14_AF tensor([0.1974]) P2Y14_AF tensor([0.0446]) P2Y14_AF tensor([0.0473]) P2Y14_AF tensor([0.0487]) P2Y14_AF tensor([0.1310]) P2Y14_AF tensor([0.0450]) P2Y14_AF tensor([0.0426]) P2Y14_AF tensor([0.1549]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0435]) P2Y14_AF tensor([0.0448]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0449]) P2Y14_AF tensor([0.0464]) P2Y14_AF tensor([0.2505]) P2Y14_AF tensor([0.0431]) P2Y14_AF tensor([0.0718]) P2Y14_AF tensor([0.1670]) P2Y14_AF tensor([0.1681]) P2Y14_AF tensor([0.1400]) P2Y14_AF tensor([0.0562]) P2Y14_AF tensor([0.1014]) P2Y14_AF tensor([0.0453]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0469]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.0491]) P2Y14_AF tensor([0.1439]) P2Y14_AF tensor([0.1387]) P2Y14_AF tensor([0.0772]) P2Y14_AF tensor([0.0510]) P2Y14_AF tensor([0.5280]) P2Y14_AF tensor([0.1952]) P2Y14_AF tensor([0.1472]) P2Y14_AF tensor([0.0486]) P2Y14_AF tensor([0.2672]) P2Y14_AF tensor([0.5145]) P2Y14_AF tensor([0.0906]) P2Y14_AF tensor([0.5496]) P2Y14_AF tensor([0.5987]) P2Y14_AF tensor([0.1863]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.5435]) P2Y14_AF tensor([0.5229]) P2Y14_AF tensor([0.0434]) P2Y14_AF tensor([0.2750]) P2Y14_AF tensor([0.5012]) P2Y14_AF tensor([0.0597]) P2Y14_AF tensor([0.0427]) P2Y14_AF tensor([0.5242]) P2Y14_AF tensor([0.0706]) P2Y14_AF tensor([0.0520]) P2Y14_AF tensor([0.1722]) P2Y14_AF tensor([0.2135]) P2Y14_AF tensor([0.0431]) P2Y14_AF tensor([0.0426]) P2Y14_AF tensor([0.5066]) P2Y14_AF tensor([0.0442]) P2Y14_AF tensor([0.0434]) P2Y14_AF tensor([0.1367]) P2Y14_AF tensor([0.1765]) P2Y14_AF tensor([0.0541]) P2Y14_AF tensor([0.0459]) P2Y14_AF tensor([0.0567]) P2Y14_AF tensor([0.0446]) P2Y14_AF tensor([0.0447]) P2Y14_AF tensor([0.0482]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0426]) P2Y14_AF tensor([0.0455]) P2Y14_AF tensor([0.0599]) P2Y14_AF tensor([0.0430]) P2Y14_AF tensor([0.0576]) P2Y14_AF tensor([0.0437]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.0438]) P2Y14_AF tensor([0.1394]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0491]) P2Y14_AF tensor([0.0468]) P2Y14_AF tensor([0.0427]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0468]) P2Y14_AF tensor([0.0907]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0796]) P2Y14_AF tensor([0.0436]) P2Y14_AF tensor([0.0501]) P2Y14_AF tensor([0.0541]) P2Y14_AF tensor([0.0924]) P2Y14_AF tensor([0.0445]) P2Y14_AF tensor([0.0432]) P2Y14_AF tensor([0.4985]) P2Y14_AF tensor([0.1042]) P2Y14_AF tensor([0.0439]) P2Y14_AF tensor([0.0724]) P2Y14_AF tensor([0.1968]) P2Y14_AF tensor([0.0530]) P2Y14_AF tensor([0.1578]) P2Y14_AF tensor([0.2410]) P2Y14_AF tensor([0.1931]) P2Y14_AF tensor([0.1470]) P2Y14_AF tensor([0.0484]) P2Y14_AF tensor([0.0448]) P2Y14_AF tensor([0.0463]) P2Y14_AF tensor([0.0895]) P2Y14_AF tensor([0.1849]) P2Y14_AF tensor([0.4828]) P2Y14_AF tensor([0.5435]) P2Y14_AF tensor([0.5098]) P2Y14_AF tensor([0.4376]) P2Y14_AF tensor([0.2641]) P2Y14_AF tensor([0.4797]) P2Y14_AF tensor([0.1166]) P2Y14_AF tensor([0.0427]) P2Y14_AF tensor([0.0443]) P2Y14_AF tensor([0.2010]) P2Y14_AF tensor([0.2340]) P2Y14_AF tensor([0.0462]) P2Y14_AF tensor([0.0474]) P2Y14_AF tensor([0.5977]) P2Y14_AF tensor([0.4064]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.0947]) P2Y14_AF tensor([0.5594]) P2Y14_AF tensor([0.0578]) P2Y14_AF tensor([0.0424]) P2Y14_AF tensor([0.1962]) P2Y14_AF tensor([0.0454]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0476]) P2Y14_AF tensor([0.0472]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0502]) P2Y14_AF tensor([0.0462]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0771]) P2Y14_AF tensor([0.0457]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0438]) P2Y14_AF tensor([0.1088]) P2Y14_AF tensor([0.0450]) P2Y14_AF tensor([0.0440]) P2Y14_AF tensor([0.0471]) P2Y14_AF tensor([0.0444]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0433]) P2Y14_AF tensor([0.0440]) P2Y14_AF tensor([0.0660]) P2Y14_AF tensor([0.0702]) P2Y14_AF tensor([0.0530]) P2Y14_AF tensor([0.0470]) P2Y14_AF tensor([0.0751]) P2Y14_AF tensor([0.0564]) P2Y14_AF tensor([0.0575]) P2Y14_AF tensor([0.0662]) P2Y14_AF tensor([0.1730]) P2Y14_AF tensor([0.1700]) P2Y14_AF tensor([0.1234]) P2Y14_AF tensor([0.0743]) P2Y14_AF tensor([0.0935]) P2Y14_AF tensor([0.0589]) P2Y14_AF tensor([0.1518]) P2Y14_AF tensor([0.0465]) P2Y14_AF tensor([0.0436]) P2Y14_AF tensor([0.0437]) P2Y14_AF tensor([0.0454]) P2Y14_AF tensor([0.0442]) P2Y14_AF tensor([0.0449]) P2Y14_AF tensor([0.0464]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0448]) P2Y14_AF tensor([0.0440]) P2Y14_AF tensor([0.0423]) P2Y14_AF tensor([0.0453]) P2Y14_AF tensor([0.0523]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.0441]) P2Y14_AF tensor([0.0540]) P2Y14_AF tensor([0.2380]) P2Y14_AF tensor([0.0429]) P2Y14_AF tensor([0.0450]) P2Y14_AF tensor([0.5968]) P2Y14_AF tensor([0.1350]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0432]) P2Y14_AF tensor([0.6099]) P2Y14_AF tensor([0.0496]) P2Y14_AF tensor([0.0735]) P2Y14_AF tensor([0.5692]) P2Y14_AF tensor([0.4217]) P2Y14_AF tensor([0.0779]) P2Y14_AF tensor([0.1972]) P2Y14_AF tensor([0.5529]) P2Y14_AF tensor([0.5487]) P2Y14_AF tensor([0.0941]) P2Y14_AF tensor([0.0484]) P2Y14_AF tensor([0.0490]) P2Y14_AF tensor([0.0708]) P2Y14_AF tensor([0.0454]) P2Y14_AF tensor([0.1998]) P2Y14_AF tensor([0.0447]) P2Y14_AF tensor([0.0509]) P2Y14_AF tensor([0.2048]) P2Y14_AF tensor([0.2968]) P2Y14_AF tensor([0.0454]) P2Y14_AF tensor([0.0832]) P2Y14_AF tensor([0.6060]) P2Y14_AF tensor([0.0626]) P2Y14_AF tensor([0.0433]) P2Y14_AF tensor([0.5733]) P2Y14_AF tensor([0.5676]) P2Y14_AF tensor([0.0439]) P2Y14_AF tensor([0.0442]) P2Y14_AF tensor([0.6023]) P2Y14_AF tensor([0.0447]) P2Y14_AF tensor([0.0443]) P2Y14_AF tensor([0.4413]) P2Y14_AF tensor([0.1923]) P2Y14_AF tensor([0.0465]) P2Y14_AF tensor([0.1038]) P2Y14_AF tensor([0.1049]) P2Y14_AF tensor([0.0435]) P2Y14_AF tensor([0.0556]) P2Y14_AF tensor([0.0515]) P2Y14_AF tensor([0.0425]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.0430]) P2Y14_AF tensor([0.0441]) P2Y14_AF tensor([0.0428]) P2Y14_AF tensor([0.0440]) P2Y14_AF tensor([0.1006]) P2Y14_AF tensor([0.0571]) P2Y14_AF tensor([0.0426]) P2Y14_AF tensor([0.0590]) P2Y14_AF tensor([0.0433]) P2Y14_AF tensor([0.0430]) P2Y14_AF tensor([0.0426]) P2Y14_AF tensor([0.0433]) P2Y14_AF tensor([0.0477]) P2Y14_AF tensor([0.0481]) P2Y14_AF tensor([0.0474]) P2Y14_AF tensor([0.0875]) P2Y14_AF tensor([0.0557]) P2Y14_AF tensor([0.0622]) P2Y14_AF tensor([0.0434]) P2Y14_AF tensor([0.0430]) P2Y14_AF tensor([0.0773]) P2Y14_AF tensor([0.0507]) P2Y14_AF tensor([0.0467]) P2Y14_AF tensor([0.0499]) P2Y14_AF tensor([0.0483]) P2Y14_AF tensor([0.0572]) P2Y14_AF tensor([0.0659]) P2Y14_AF tensor([0.0522]) P2Y14_AF tensor([0.0489]) P2Y14_AF tensor([0.0509]) P2Y14_AF tensor([0.1188]) P2Y14_AF tensor([0.0954]) P2Y14_AF tensor([0.0514]) P2Y14_AF tensor([0.1422]) P2Y14_AF tensor([0.2419]) P2Y14_AF tensor([0.1309]) P2Y14_AF tensor([0.0551]) P2Y14_AF tensor([0.1797]) P2Y14_AF tensor([0.1652]) P2Y14_AF tensor([0.1172]) P2Y14_AF tensor([0.0781]) P2Y14_AF tensor([0.1551]) P2Y14_AF tensor([0.1705]) P2Y14_AF tensor([0.0564]) P2Y14_AF tensor([0.0777])

How should I interpret this ?

[Xinheng-He]

the number is the probability of each residue as a carbohydrate binding site, and the line number is the residue number.