q2-qemistree
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biocore
Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".
Hi, There is some weird syntax errors in _fingerprint.py file: https://github.com/biocore/q2-qemistree/blob/3f28de802aaa789988cc52207b137177c87bf90f/q2_qemistree/_fingerprint.py#L30 https://github.com/biocore/q2-qemistree/blob/3f28de802aaa789988cc52207b137177c87bf90f/q2_qemistree/_fingerprint.py#L141 It seems like some github notations have ended up in the actual code. Could these be removed, since...
Hi dear developers, I was very excited to use your tools, everything was fine until I got this error from running **qemistree make-hierarchy** I also try to run this command...
Hi everyone I just installed q2-qemistree. I am trying to run it using the demo data. I successfully generate the i) fragmentation trees and ii) molecular formulas. However, when I...
hi After finished the study of Qemistree via GNPS, none of data could be available profiled by qiime viewer as above. Is the website not works now ?
Whether running the demo data or my own data Will always produce the error like this: Traceback (most recent call last): File "/share/home/jianglab/yuanmengyi/miniconda2/envs/qiime2-2021.2/lib/python3.6/site-packages/q2cli/commands.py", line 329, in __call__ results = action(**arguments)...
Hi @anupriyatripathi This is to initiate a discussion to resolve the current issue users are having running Qemistree. Context: - SIRIUS v.4.4 introduced new parameters, new tools (like CANOPUS/COSMIC), and...
Hello qemistree developers! I tried to reproduce analyses from the publication on the evaluation dataset: https://github.com/knightlab-analyses/qemistree-analyses/blob/master/Evaluation-Dataset-Analyses.ipynb When generating the plot using the metric**unweighted_unifrac** instead of **weighted_normalized_unifrac** , it generates a...
