Geoff Hutchison's repositories
avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
conformer-scoring
Data and scripts relevant to an evaluation of force field methods for conformer scoring
avogadro-rdkit
Avogadro2 scripts using RDKit
avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
appimage.github.io
Given an URL to an AppImage, the GitHub action in this project inspects the AppImage and puts it into a community-maintained catalog
avogadro-build-ase
Avogadro2 scripts to build materials using ASE
avogadro-genice
Avogadro script to run GenIce2
avogadro-scikit-nano
Avogadro2 plugins using scikit-nano for nanotube / graphene generation
chemicaljson
Development of the Chemical JSON data representation
conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
good-first-issue
Make your first open-source contribution.
homebrew-cask
A CLI workflow for the administration of Mac applications distributed as binaries
lightweight-registration
Example of quantum chemical registration using RDKit and cclib
nanocar-avogadro
Nanocar builder Avogadro 2 plug-in
openchemistry
Supermodule containing submodules and external project to build all components
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
tinycolormap
A header-only, single-file library for colormaps written in C++11
two.avogadro.cc
Documentation and development website for Avogadro2
xtb-feedstock
A conda-smithy repository for xtb.
yaehmop-feedstock
A conda-smithy repository for yaehmop.