brain-research deep-molecular-massspec issues

brain-research / deep-molecular-massspec

Mass Spectrometry for Small Molecules using Deep Learning

Apache License 2.0

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issues

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You can‘t predict H+ & Be++

#29 LiuBurger opened 5 months ago
1
Could you develop a pytorch version？

#28 LiuBurger opened 5 months ago
0
Retrain model on set of spectra

#27 AbrahamProject opened 7 months ago
0
Quickstart returns AttributeError

#26 deniyeu opened 2 years ago
0
retrain has an error

#25 LXXiaogege closed 2 years ago
0
FutureWarning and HDF5 errors

#24 just-a-chemist closed 3 years ago
7
Can I use MassBank or CFM-ID to retrain it? Thanks

#23 lionelxia closed 3 years ago
1
make_prediction.py

#22 lionelxia closed 3 years ago
1
how to get plot figures

#21 jingxual closed 4 years ago
3
Fix typo

#20 haozhu233 closed 4 years ago
3
GPU, CPU multi thread

#19 yamaguchiraf closed 4 years ago
0
first line in predicted spectrum

#18 dchek001 closed 4 years ago
2
if more than 1 replicate spectrum, which one used to query main database?

#17 ggonzalezp closed 4 years ago
4
How to retrain

#16 yamaguchiraf closed 4 years ago
5
install tensorflow

#15 yamaguchiraf closed 4 years ago
2
Add validation test sets

#14 jnwei-zz closed 4 years ago
0
feature request: documentation improvements

#13 curt-f closed 4 years ago
2
tensorflow version?

#12 hcji closed 4 years ago
2
Updating README

#11 jnwei-zz closed 5 years ago
0
Update from py2 to py3 and model update

#10 jnwei-zz closed 5 years ago
0
Delete gather_similarites.py

#9 jnwei-zz closed 5 years ago
0
quickstart issues

#8 chrispook closed 5 years ago
3
Feature Request: trained model

#7 curt-f closed 5 years ago
5
Update README to additional requirements

#6 jnwei-zz closed 5 years ago
0
Could you link the paper plz?

#5 gklambauer closed 5 years ago
2
Adding tools for plotting spectra from NIST Library

#4 jnwei-zz closed 5 years ago
0
Skip mols that are missing mass spec peaks in sdf file

#3 jnwei-zz closed 5 years ago
2
Molecular formula

#2 jnwei-zz closed 5 years ago
0
Add spectra plot to prediction

#1 jnwei-zz closed 6 years ago
1