| Library | New Features In Development |
|---|---|
| MoleculeFlow.jl | ❌ |
| MoleculeView.jl | ❌ |
| MoleculeDatasets.jl | ❌ |
| MoleculeScreen.jl | ❌ |
| OpenBabel.jl | ❌ |
Other external libraries/organizations of interest:
- JuliaMolSim - Molecular Simulation in Julia
- BioJulia - Bioinformatics and Computational Biology in Julia
- MolecularGraph.jl - Graph-based molecule modeling toolkit for cheminformatics
- CrystalInfoFramework.jl - Julia tools for reading Crystallographic Information Framework (CIF) files and dictionaries
- PDBTools.jl - Read, write and manipulate atomic systems in PDB and mmCIF formats
- ChemfilesViewer.jl - Julia library to visualize molecules and other chemical structures
- Cclib.jl - Parsers and algorithms for computational chemistry logfiles
- Jchemo.jl - Tools for chemometrics and machine learning on high-dimensional data