sametz
Assistant Professor of Chemistry, U. Delaware. Trying to learn enough python to create useful things.
Pinned Repositories
chem333
Materials for CHEM333
cythontest
Going through cython tutorials, and trying to apply to some of my code
nmrmint
Mint your own NMR spectra from scratch! (version 0.3.1 beta)
nmrsim
A Python library for NMR simulation
phase_diagram
Static and animated distillation phase diagrams for chemistry education
pydnmr
Simulation of Dynamic Nuclear Magnetic Resonance (DNMR) spectra (beta v0.5.0)
qtbriefcase
Testing packaging a scientific pyside2 app with briefcase
secondorder
Graphical simulation of NMR spectra (v0.4.1 alpha)
uw_dnmr
Simulation of First-Order, Second-Order, and Dynamic NMR Spectra (version 0.3.0 alpha)
sametz's Repositories
sametz/nmrsim
A Python library for NMR simulation
sametz/pydnmr
Simulation of Dynamic Nuclear Magnetic Resonance (DNMR) spectra (beta v0.5.0)
sametz/nmrmint
Mint your own NMR spectra from scratch! (version 0.3.1 beta)
sametz/qtbriefcase
Testing packaging a scientific pyside2 app with briefcase
sametz/chem333
Materials for CHEM333
sametz/phase_diagram
Static and animated distillation phase diagrams for chemistry education
sametz/uw_dnmr
Simulation of First-Order, Second-Order, and Dynamic NMR Spectra (version 0.3.0 alpha)
sametz/blog
David Beazley's blog.
sametz/chem-coding
A collection of resources useful for chemistry, coding, and chemists who code.
sametz/code
Example application code for the python architecture book
sametz/codingForChemists
Resources for and by the #codingForChemists Discord community!
sametz/COVID19hackathon
sametz/cupy
NumPy & SciPy for GPU
sametz/find_sds
Find safety data sheet (SDS) for chemicals using their CAS numbers
sametz/fit-o-mat
Fit-o-mat - a versatile program for nonlinear least-squares fitting
sametz/handson-ml3
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
sametz/heroku-panel-test
Testing deployment of NMR app to Heroku
sametz/high_performance_python_2e
Code for the book "High Performance Python 2e" by Micha Gorelick and Ian Ozsvald with OReilly
sametz/jupyterlite_test
Testing whether my NMR notebooks can be ported to Jupyterlite and hosted on GH
sametz/labs
This is a collection of tutorials for learning how to use Docker with various tools. Contributions welcome.
sametz/md_python
The repository with the lecture and tutorial for CPS teaching grant
sametz/MDAnalysis_ML_workshop
sametz/nmrtools
MOVED to sametz/nmrsim ! A python library for NMR simulation (v0.1 pre-alpha)
sametz/panel-test
Testing the use of Panel to create NMR demos
sametz/physical-chemistry
A series of Jupyter notebooks developed to help students solve physical-chemistry problems.
sametz/pydnmr-flask-d3
A flask backend/D3.js frontend for pydnmr
sametz/pyscript_panel
Fiddling with PyScript and Panel apps. Learning as I go.
sametz/qt_nmr
Testing feasibility of hacking a pysides interface for uw_dnmr
sametz/scheduling
Python for TA scheduling written in python with SQL backend and Tinker GUI
sametz/tdd2e_3
Seeing if I can hack through Test Driven Development 2nd Ed. but with Django 3