Pinned Repositories
BTRoboCar
GraphKernels
A package for computing Graph Kernels
mediator
a medium inspired jekyll theme
MetFragR
R package for MetFrag
neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
PIDGINv3
Protein target prediction using random forests and reliability-density neighbourhood analysis
PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
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.
rdkit-tutorials
Tutorials to learn how to work with the RDKit
rickshaw
JavaScript toolkit for creating interactive real-time graphs
mxu00's Repositories
mxu00/BTRoboCar
mxu00/GraphKernels
A package for computing Graph Kernels
mxu00/mediator
a medium inspired jekyll theme
mxu00/MetFragR
R package for MetFrag
mxu00/neural-fingerprint
Convolutional nets which can take molecular graphs of arbitrary size as input.
mxu00/PIDGINv3
Protein target prediction using random forests and reliability-density neighbourhood analysis
mxu00/PythonDataScienceHandbook
Python Data Science Handbook: full text in Jupyter Notebooks
mxu00/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.
mxu00/rdkit-tutorials
Tutorials to learn how to work with the RDKit
mxu00/rickshaw
JavaScript toolkit for creating interactive real-time graphs
mxu00/SMILESbasedSimilarityKernels
mxu00/standardiser
Molecular standardisation tool
mxu00/TeachingDemos
Bioinformatics related demos and tutorials using the R programming language