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Author:
Yuhui Hong, Sujun Li, Christopher J Welch, Shane Tichy, Yuzhen Ye, Haixu Tang
License:
Attribution-NonCommercial-ShareAlike 4.0 International
=======================================================================
Creative Commons Corporation ("Creative...
Summary:
3DMolMS: prediction of tandem mass spectra from 3D molecular conformations
Latest version:
1.4.0
Required dependencies:
matplotlib
|
molmass
|
numpy
|
pandas
|
pillow
|
platformdirs
|
pyteomics
|
pyyaml
|
rdkit
|
requests
|
torch
|
tqdm
Optional dependencies:
myst-parser
|
scikit-learn
|
sphinx
|
sphinx-rtd-theme
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