Levi Naden's repositories
tutorial-pydantic
MolSSI Introduction to Pydanic example codes
5e-monsters
Kobold Fight Club
azure-testing
A test repository to test azure devops CI in a non-production repo I can break
base_chirpy
a basic chirpy ghio page for use for alchemistry
conda-build
Commands and tools for building conda packages
conda-dev-recipes
Conda development recipes (*-dev packages), built nightly by travis cron
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
covid
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
fah-alchemy
protein-ligand alchemical free energy calculations via Folding@Home
ghatesting
Test Simple GitHub Action combinations and errors for personal and debug use
hugo
The world’s fastest framework for building websites.
minimal
Personal blog theme powered by Hugo
molecool
Cool Molecule stuff
omnia-linux-anvil
Experimental version of conda-forge/linux-anvil to build openmm
open-data-registry
A registry of publicly available datasets on AWS
openmm-feedstock
A conda-smithy repository for openmm.
openmmtools
A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
pymbar
Python implementation of the multistate Bennett acceptance ratio (MBAR)
pymbar-feedstock
A conda-smithy repository for pymbar.
python-package-best-practices
http://education.molssi.org/python-package-best-practices/
QCElemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
QCEngine
A wrapper for Quantum Chemistry engines that adheres to the MolSSI QCSchema.
QCFractal
A distributed compute and database platform for quantum chemistry.
setup-miniconda
Set up your GitHub Actions workflow with conda via miniconda
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
yank
GPU-accelerated calculation of ligand binding affinities in implicit and explicit solvent using alchemical free energy methodologies