Josh A. Mitchell's repositories
longan-nano-template
Rust template for the Longan Nano
snakes_on_a_plane
Conda meets Cargo. Keep your conda dev environments local, specific, and up-to-date.
bevy
A refreshingly simple data-driven game engine built in Rust
chemper
Repository for Chemical Perception Sampling Tools
cookiecutter-python
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
cpython
The Python programming language
doctest_oxide
Doctests for the rest of us
MyST-NB
Parse and execute ipynb files in Sphinx
nglview
Jupyter widget to interactively view molecular structures and trajectories
openff-bespokefit-feedstock
A conda-smithy repository for openff-bespokefit.
openff-binder
EXPERIMENTAL: Environment for the entire OpenFF stack
openff-evaluator
A physical property evaluation toolkit from the Open Forcefield Consortium.
openff-fragmenter
Fragment molecules for quantum mechanics torsion scans
openff-interchange
A project (and object) for storing, manipulating, and converting molecular mechanics data.
openff-qcsubmit
Automated tools for submitting molecules to QCFractal
openff-toolkit-feedstock
A conda-smithy repository for openff-toolkit.
openmm-org
Content of https://openmm.org
pdbfixer
PDBFixer fixes problems in PDB files
pdbmol
Spec-compliant PDB(x)/mmCIF read/write library
pint
Operate and manipulate physical quantities in Python
QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
rdkit
The official sources for the RDKit library
rust-template
GitHub Template for a generic rust project
smooth-bevy-cameras
Bevy camera controllers with buttery, exponential smoothing.
sphinxcontrib-sass
Sphinx extension to compile sass to css in running sphinx-build