# Avogadro 2025 Roadmap **URL:** \ **Category:** General Discussion\ **Created:** [January 9, 2025, 6:04pm UTC](https://discuss.avogadro.cc/t/avogadro-2025-roadmap/6692 "2025-01-09T18:04:16Z")\ **Posts on this page:** 4\ **Page:** 1
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [January 9, 2025, 6:04pm UTC](https://discuss.avogadro.cc/t/avogadro-2025-roadmap/6692/1 "2025-01-09T18:04:17Z")
Following the [Avogadro 2024 Roadmap](https://discuss.avogadro.cc/t/avogadro-2024-roadmap/5194) ## Avogadro 1.100 Released [21 January 2025](https://discuss.avogadro.cc/t/avogadro-1-100-release/6710/) ## Avogadro 1.101 Released [14 September 2025](https://discuss.avogadro.cc/t/avogadro-1-101-release/7141) ## Avogadro 1.102 / 1.102.2 (23 October 2025) Released [23 October 2025](https://discuss.avogadro.cc/t/avogadro-1-102-release/7192) and [27 October 2025](https://discuss.avogadro.cc/t/avogadro-1-102-1-release/7198) ## Avogadro 2.0 This will mostly concentrate on bug fixes, performance and polish, including documentation. - Improved user documentation (i.e., nearly complete) - Update screenshots - [YouTube walk-throughs](https://discuss.avogadro.cc/t/video-tutorials-playlist/7181/3) - [Bug fixes and polish](https://github.com/orgs/OpenChemistry/projects/4) - Further optimization improvements - Auto-optimize tool - Constraints for distances, angles, & dihedrals - Recording trajectories - Possibly simple molecular dynamics - Ensuring consistent units in energies / gradients - Plotting / spectra improvements - Improved spectra dialog - Import experimental spectra for overlay - [Additional spectra types](https://github.com/OpenChemistry/avogadrolibs/issues/2270) e.g. VCD, MCD, etc. - Band diagrams (beyond Yaehmop) - X-ray diffraction - Density of states / partial DOS - Energy / conformer plot (e.g., multiple conformers, trajectory, etc.) - Orbital energy diagram - [Atom and bond custom properties](https://github.com/OpenChemistry/avogadrolibs/issues/2113) - Example calculator scripts (e.g., NMR signals, polarizabilities, etc.) - Scripting improvements - Multiple examples of each type (commands, charges, energy, etc.) ## Future Plans We intend to move to a scheduled release plan, with regular releases on 06 Feb (06 / 02 in DDMM format), 02 June (6 / 02 in the US) and 23 October (10/23 in the US - “Mole Day”) - Optimization with point group / space group symmetry - Improved conformer / trajectory support - “Merge frames” into multiple layers - Graphics / rendering improvements - Support for OpenGL 4.0 core profile - Volumetric orbital / charge / electron density shaders - Improved builder tools - Peptide builder - Polymer builder - Building / editing features - Editing / building with symmetry (e.g., retaining point group and space group) - Micro-solvation / solvation “fill” - Materials interfaces / heterojunctions - Find-and-replace options (e.g., replace 50% of gold atoms within 3 A of the center) - Trajectory / dynamics analysis - Support for “streaming” large trajectories rather than loading all in memory - Timeline view with properties - Python / Scripting improvements - [Better handling of dependencies / environments / Python installation](https://discuss.avogadro.cc/t/pixi-and-plugin-environments/6713/) - Reading cube / volumetric data - Property calculators (i.e., scripts to predict logP, etc.) - Packing multiple script types into one “combined” plugin (e.g., xtb energy, charges and commands) - Embedded Python terminal - Recording user interaction ⇒ scripts ---
**Author:** ![matterhorn103](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/matterhorn103/32/1751_2.png) [@matterhorn103](https://discuss.avogadro.cc/u/matterhorn103)\ **Post date:** [January 10, 2025, 1:13am UTC](https://discuss.avogadro.cc/t/avogadro-2025-roadmap/6692/2 "2025-01-10T01:13:02Z")
What of this remains for feature parity with 1.2? Or are we already there? ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [January 10, 2025, 1:24am UTC](https://discuss.avogadro.cc/t/avogadro-2025-roadmap/6692/3 "2025-01-10T01:24:14Z")
The main feature would be the auto-optimize tool. Certainly 1.2 has a peptide builder as well, but in terms of “hotly requested features” it would be auto-optimize. Avo 1.2 also had polygon and ring rendering, but I haven’t been hearing a lot of requests for those. (Polygon rendering is nice for crystallographic materials though.) Oh, and building slabs from crystals. But I’ll post a slab builder plugin script that uses `pymatgen` and is definitely better than my code in 1.2. I’m not opposed to porting the old code, but again, I’m not hearing a ton of requests. ---
**Author:** ![ghutchis](https://discuss.avogadro.cc/user_avatar/discuss.avogadro.cc/ghutchis/32/456_2.png) [@ghutchis](https://discuss.avogadro.cc/u/ghutchis)\ **Post date:** [January 22, 2025, 6:54pm UTC](https://discuss.avogadro.cc/t/avogadro-2025-roadmap/6692/4 "2025-01-22T18:54:45Z")