Name: Geoff Hutchison
Type: User
Company: University of Pittsburgh, Department of Chemistry
Bio: Creator and developer of @avogadro @openbabel and @PittQuantumRepository
Twitter: ghutchis
Location: Pittsburgh, PA, USA
Blog: https://hutchisonlab.org/
Geoff Hutchison's Projects
Given an URL to an AppImage, the GitHub action in this project inspects the AppImage and puts it into a community-maintained catalog
A conda-smithy repository for auto3d.
RDKit scripts for Avogadro 2
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
Avogadro2 scripts to build materials using ASE
Avogadro script to run GenIce2
Avogadro2 scripts using RDKit
Avogadro2 plugins using scikit-nano for nanotube / graphene generation
Avogadro superbuild project, builds Avogadro dependencies and then Avogadro itself
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Python input file generators for Avogadro 2
Bayesian geometry optimization experiments
Bayesian optimization for ground state conformers
Parsers and algorithms for computational chemistry logfiles
Computational chemistry logfiles used as regression tests by cclib
Jupyter Noteboks for lecture and assignments for CHEM 1000: Mathematics for Chemistry at University of Pittsburgh
A python module for manipulating cartesian and internal coordinates.
Development of the Chemical JSON data representation
A Quick Look plugin for Chemistry files, adapted from QLColorCode
ChemSpotlight is a Spotlight metadata importer plugin for Mac OS X which reads common chemical file formats
Create a pull request review based on clang-tidy warnings
A conda-smithy repository for conda-forge-pinning.
Data and scripts for comprehensive benchmark of conformer relative energies
Data and scripts relevant to an evaluation of force field methods for conformer scoring
Sphinx-based documentation for the Open Babel project
Data and analysis scripts for design of donor-acceptor oligothiophenes
Graph-based genetic algorithm
Personal README
Make your first open-source contribution.