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arduino-rust

Fun with the Duinotech Arduino Uno clone and Rust

autodoc_pydantic

Seamlessly integrate pydantic models in your Sphinx documentation.

bevy

A refreshingly simple data-driven game engine built in Rust

chemfiles.rs

Rust bindings to chemfiles

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

force_fields

Force fields in various formats

gitmarkdownliaison

A Sublime Text package that assists in version control of Markdown text files by quietly inserting linebreaks after every sentence.

gromacs

Public/backup repository of the gromacs molecular simulation toolkit

jacksongrp_talk_nov19

Group given at the Jackson group meeting on November 8 2019 about computational chemistry

jacksongrp_talk_sep20

jamciter

Citations from bibtex for Sublime Text 3

jupyterjoy

Random little tools for MD analysis in Jupyter

latest_tag_test

Can I make a `latest` tag that always points to the latest release?

longan-nano-template

Rust template for the Longan Nano

mathademicmarkdown

This extension to AcademicMarkdown adds an Mathademic Markdown language variant, currently under development.

mbar-rs

Rust bindings for pymbar

myst-nb

Parse and execute ipynb files in Sphinx

nglview

Jupyter widget to interactively view molecular structures and trajectories

noether

Terrible biomolecular modelling engine written in Rust for funsies.

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

OpenMM is a toolkit for molecular simulation using high performance GPU code.