Comments (2)
Hi @mantouRobot - I think I've found the root of the problem.
@melihyilmaz - for inference with unlabeled spectra, we need to use a SpectrumDataset
instead of an AnnotatedSpectrumDataset
. The latter requires a SEQ:
tag in the MGF file, which is not typically there. Can you make this change and verify that works?
from casanovo.
The issue should be fixed, you can now run inference without evaluation so that you don't SEQ:
tags in the MGF file. Please see README for updated options.
from casanovo.
Related Issues (20)
- Exclude some PTMs for prediction? HOT 2
- Question about tracking spectra from MGF files in output HOT 1
- Using HDF5 file as train/val dataset leads to index out of bound error HOT 9
- No Models Saved, No Validation Loss Reported HOT 3
- Save final model HOT 1
- how to train casanovo v4 on huge dataset like massive-kb from scratch? HOT 3
- What is the criteria of saving the top k models in Casanovo version 4? HOT 1
- add additional inputs to encoder and decoder HOT 1
- Add contrastive loss term
- Implement bidirectional decoding HOT 1
- Add rotary embeddings
- mzTab validation
- Automate mzTab validation HOT 7
- More information about the train/val/test split HOT 2
- WARNING: Skipped spectra with invalid precursor info HOT 1
- Export casanovo to torchscript/onnx HOT 1
- ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all() HOT 3
- Make Casanovo produce Skyline compatible output
- 9-Species Benchmark Set: Data Preprocessing Step? HOT 5
- Migrating PeptideMass, PeptideDecoder, and PeptideEncoder from depthcharge v0.2.3 to casanovo HOT 3
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