janusson
PhD Chemist exploring the intersection of chemistry :atom: and data science 💽 with a focus on transforming raw data into meaningful insights 🤖.
www.ericjanusson.comCanada
janusson's Stars
iomega/spec2vec_gcms_data_analysis
Notebook for the analysis of spectra in GCMS samples
crnbaker/gostringsynth
A finite difference string synthesizer written in Go
pymzml/pymzML
pymzML - an interface between Python and mzML Mass spectrometry Files
Chalarangelo/30-seconds-of-python
Short Python code snippets for all your development needs
mcs07/PubChemPy
Python wrapper for the PubChem PUG REST API.
NVlabs/instant-ngp
Instant neural graphics primitives: lightning fast NeRF and more
matchms/notebooks
Jupyter notebook with matchms tutorial.
HuanLab/EVA
A Convolutional Neural Network-Based Platform to Evaluate Chromatographic Peak Quality for Feature Fidelity in LC-MS-based Metabolomics
joewdavies/geoblender
Tutorials for making 3D-looking maps with Blender and QGIS
rxn4chemistry/rxn4chemistry
Python wrapper for the IBM RXN for Chemistry API
deepchem/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
mkrl/misbrands
The world's most hated IT stickers
dpolasky/TWIMExtract
Nesvilab/philosopher
PeptideProphet, PTMProphet, ProteinProphet, iProphet, Abacus, and FDR filtering
oscarcontrerasnavas/NIST-web-book-scraping
Small algorithm for getting Antoine's coefficient to calculate vapor pressure from NIST web book.
bjonnh-virtuous/pylibmassfiles
Convert different Mass spectrometry library formats between each other
sabidhasan/NistPy
Python module for interfacing with NIST Webbook (a chemistry resource)
AberystwythSystemsBiology/pyMEAN
A Python package for metabolite enrichment analysis.
griquelme/tidyms
TidyMS: Tools for working with MS data in untargeted metabolomics
matchms/matchms
Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.
OpenMS/pyopenms-docs
pyOpenMS readthedocs documentation, additional utilities, addons, scripts, and examples.
Nesvilab/MSFragger
Ultrafast, comprehensive peptide identification for mass spectrometry–based proteomics
HuanLab/SteroidXtract
deep learning-based steroid extraction
phrasenmaeher/ml-checklist
A checklist to track your ML progress
CINF/PyExpLabSys
Python for Experimental Lab Systems: Serial drivers, file parsers, data and live sockets
OpenChrom/openchrom
Visualization and Analysis of mass spectrometric and chromatographic data.
CCMS-UCSD/GNPSDocumentation
Documentation for GNPS and related tools as written in mkdocs
erik-menke/AnalyticalProjects
A series of jupyter notebooks to help chemistry students learn python for analytical chemistry
jakevdp/sklearn_tutorial
Materials for my scikit-learn tutorial
sainnhe/gruvbox-material
Gruvbox with Material Palette