Jonathan Fine's repositories
ferricyanide
A simple molecular visualization platform designed for WASM
allotropy
A Python library for converting instrument data into Allotrope Simple Model (ASM)
avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
avogadrodata
Repository for support data used by the Open Chemistry projects (including Avogadro 2)
avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
chemfiles.f03
Fortran binding to chemfiles
Chemfiles.jl
Julia bindings to chemfiles
DataFrames.jl
In-memory tabular data in Julia
iupac_formats
Modern build system for embedding IUPAC formats into C and C++ projects
lemon
A framework for rapidly mining structural information from the Protein Data Bank
openchemistry
Supermodule containing submodules and external project to build all components
pcmsolver
An API for the Polarizable Continuum Model
ranger
A Fast Implementation of Random Forests
tests-data
Test files for chemfiles
webgl-matrix
A lightweight matrix library targeting the use in rust-only WebGL applications in WASM