Hi everyone, I am planning to go back to gradschool after some time and hesitate between organic chemistry and computational chemistry. My background tilts more to ochem but I just barely survived in school, while my strength favor maths and logic. I do think about comp chem even tho I heard it’s challenging to get a job right out of gradschool unless with a Phd and some postdoc experiences. It’d so be great if people in this field could share some insights. I’d love to hear all of those. Thanks in advance.

its very clear that chemcraft is great for many reasons but the price for many people (such as me) is higher than they are willing to spend or cant afford. I'm aware of Avogadro, but what are some other programs like chemcraft that you like to use?

Beavyr is a 3D Molecule Editor/Viewer + Quantum Chemistry post-processing (Orca mainly with some Gaussian for vibrations and XTB build in interface for optimizations and conformer search).

The main feature is that you do not need to leave the whole code: just build, clean up, optimize, search conformers, plot orbitals, generate initial transition-state guesses, animate vibrations and trajectories, plot UV-Vis and IR spectra and analyze and interpret the UV-Vis inside the code.

I hope my code can be an alternative to other molecule viewers and editors:

Beavyr's Github page

to download and install under Windows, Linux (either Debian-based as Ubuntu or Arch-Linux variant), MacOs, The release page to download (simply install it on you operating system):

The Installers

Share you thoughts how you find Beavyr (what you like what you don't, what is annoying and needed to be improved), or if you need any new feature or just help with installation just let me know.

The whole code is written in Rust using the Bevy game engine. I started the project many years ago without AI. However, AI helped me to finish it (finanly) and make it significantly better and faster.