MolSSI-Education

A organization to host the MolSSI educational efforts.

Blacksburg, VA

Pinned Repositories

acs-2023-notebooks
Language:Jupyter Notebook9 1 012
CMS-Python-DevOps
This is the older version of our Python Package Development Workshop - Please see our updated materials -
Language:Python16 7 1512
getting-started-computational-chemistry
Language:Python18 5 05
gpu_programming_beginner
Fundamentals of heterogeneous parallel programming with CUDA C/C++ at the beginner level.
Language:Python10 5 02
oop_and_design_patterns
Language:Python7 3 13
parallel-programming
Language:Python15 2 123
periodic-table
Language:JavaScript11 5 79216
python-package-best-practices
Hands-on workshop showing good software development practices to create a Python package.
Language:Python37 4 1034
python_scripting_cms
Python Data and Scripting course for computational chemists
Language:Python84 5 1237
S2I2
Code and other materials for the S2I2 Software Summer School
Language:C++12 8 017

MolSSI-Education's Repositories

MolSSI-Education/python_scripting_cms
Python Data and Scripting course for computational chemists
Language:Python84 5 1237
MolSSI-Education/python-package-best-practices
Hands-on workshop showing good software development practices to create a Python package.
Language:Python37 4 1034
MolSSI-Education/parallel-programming
Language:Python15 2 123
MolSSI-Education/periodic-table
Language:JavaScript11 5 79216
MolSSI-Education/acs-2023-notebooks
Language:Jupyter Notebook9 1 012
MolSSI-Education/molssi-cheminformatics
Language:Jupyter Notebook82
MolSSI-Education/oop_and_design_patterns
Language:Python7 3 13
MolSSI-Education/python-scripting-biochemistry
Language:Jupyter Notebook7 3 012
MolSSI-Education/type-hints-pydantic-tutorial
A hands-on tutorial on Python type hints, dataclasses, and pydantic.
Language:Jupyter Notebook4 1 0
MolSSI-Education/julia-introduction
Introduction to Julia - from https://github.com/JuliaMolSim/MolSSI_workshop - under construction!
Language:Jupyter Notebook31
MolSSI-Education/mm-tools
Language:Python3 5 09
MolSSI-Education/molssi-education.github.io
http://molssi-education.github.io
Language:SCSS2 3 03
MolSSI-Education/acs-2023-notebooks-filled
Language:Jupyter Notebook11
MolSSI-Education/bcce-2024
Training resources for the ML workshop at BCCE 2024
Language:Jupyter Notebook11
MolSSI-Education/iqb-2025
Language:Jupyter Notebook1
MolSSI-Education/ML-halfday
Notebook for a 3 hour machine learning workshop that starts with building a data set in RDKit
Language:Jupyter Notebook1 3 0
MolSSI-Education/sermacs-2024
Language:Jupyter Notebook1
MolSSI-Education/molecool
A reference repository for the MolSSI Best Practices Workshop.
Language:Python0 1 03
MolSSI-Education/python-best-practices-container
Language:Dockerfile0 1 10
MolSSI-Education/geometry-analysis-example
This is a sample repository of the geometry analysis project in the Python Scripting for CMS workshop. Used as the example repository for students to fork during the GitHub lesson.
Language:Python11
MolSSI-Education/github-tutorial-mm-tools
Set up for the mm-tools workshop
1 033
MolSSI-Education/gpu_programming_intermediate
Language:Python5 02
MolSSI-Education/jupyter-book
A starting Jupyter book for MolSSI tutorials
Language:CSS1
MolSSI-Education/mm-tools-workshop
Language:Jupyter Notebook1
MolSSI-Education/molssicheminfo
Language:Jupyter Notebook3
MolSSI-Education/PREC_codespace
Language:Dockerfile
MolSSI-Education/python-data-and-scripting
2
MolSSI-Education/python-experimental-chem
Language:Jupyter Notebook
MolSSI-Education/python-scripting-book
Language:Jupyter Notebook
MolSSI-Education/python-scripting-experimental
Language:Jupyter Notebook