Meng Xu's repositories
GraphKernels
A package for computing Graph Kernels
Language:C++MIT000
MetFragR
R package for MetFrag
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neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
Language:TeXMIT000
PIDGINv3
Protein target prediction using random forests and reliability-density neighbourhood analysis
Language:PythonGPL-3.0000
PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
Language:Jupyter NotebookMIT000
RawTools
RawTools is an open-source and freely available package designed to perform scan data parsing and quantification, and quality control analysis of Thermo Orbitrap raw mass spectrometer files from data-dependent acquisition experiments.
Language:C#Apache-2.0000
rdkit-tutorials
Tutorials to learn how to work with the RDKit
Language:Jupyter NotebookNOASSERTION000
rickshaw
JavaScript toolkit for creating interactive real-time graphs
Language:JavaScriptMIT000
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standardiser
Molecular standardisation tool
Language:Jupyter Notebook000
TeachingDemos
Bioinformatics related demos and tutorials using the R programming language
Language:R000