Pinned Repositories
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.
bindgen
Binding generator for the chemfiles library
chemfiles
Modern library for chemistry file reading and writing
chemfiles.f03
Fortran binding to chemfiles
Chemfiles.jl
Julia bindings to chemfiles
ferricyanide
A simple molecular visualization platform designed for WASM
msgpack-c
MessagePack implementation for C and C++ / msgpack.org[C/C++]
frodofine's Repositories
frodofine/ferricyanide
A simple molecular visualization platform designed for WASM
frodofine/msgpack-c
MessagePack implementation for C and C++ / msgpack.org[C/C++]
frodofine/allotropy
A Python library for converting instrument data into Allotrope Simple Model (ASM)
frodofine/avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
frodofine/avogadrodata
Repository for support data used by the Open Chemistry projects (including Avogadro 2)
frodofine/avogadrolibs
Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
frodofine/bindgen
Binding generator for the chemfiles library
frodofine/chemfiles
Modern library for chemistry file reading and writing
frodofine/chemfiles.f03
Fortran binding to chemfiles
frodofine/Chemfiles.jl
Julia bindings to chemfiles
frodofine/CiPA
frodofine/DataFrames.jl
In-memory tabular data in Julia
frodofine/Flux.jl
Relax! Flux is the ML library that doesn't make you tensor
frodofine/iupac_formats
Modern build system for embedding IUPAC formats into C and C++ projects
frodofine/lemon
A framework for rapidly mining structural information from the Protein Data Bank
frodofine/LIBSVM.jl
LIBSVM bindings for Julia
frodofine/mmtf-cpp
The pure c++ implementation of the MMTF API, decoder and encoder.
frodofine/openchemistry
Supermodule containing submodules and external project to build all components
frodofine/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
frodofine/pcmsolver
An API for the Polarizable Continuum Model
frodofine/ranger
A Fast Implementation of Random Forests
frodofine/stock_strats
frodofine/tests-data
Test files for chemfiles
frodofine/webgl-matrix
A lightweight matrix library targeting the use in rust-only WebGL applications in WASM