This has been a passion project of mine for ~ a year. It's a collection of structural bio tools as a GUI application. Intent: "Just works". Includes party tricks like: - Infer ADME (drug-design) properties for small mols
- Can view molecular dynamics trajectories like VMD, and also run them with its wn engine, or GROMACS. (Amber Force fields; inferred from any small mol/protein/nucleic acid/lipid)
- ORCA GUI interface for quantum chem
- 3D molecule editor with "real-time" MD
- Building blocks exposed as open source Rust libs
- Integration with online databases (PubChem, RCSB PDB, Drugbank etc)