Revanced 👀

Firefox 👀

So I kept thinking: what if I reimplement all the logic behind? What if I make it more lispy? Got more and more curious about Indigo's capabilities and ended up here lmao (2/2)

Thanks! Rendering was actually my starting fixation: everything started when I wrote tochemfig (github.com/gicrisf/toch...) to render (and edit!) molecules in LaTeX without ever leaving my Emacs buffer; but I was frustrated by having to call a Python dependency via subprocess. (1/2)

This is an early implementation. Core functionality is ready for experimentation, though some features (PKA functions, advanced analysis) still need work.

Any feedback is welcome from anyone at the intersection of #chemistry and #Emacs.

This is the repository: github.com/gicrisf/emac...

(7/7)

I'm currently working on a lazy stream abstraction for idiomatic iterator handling, avoiding the need to eagerly copy results into temporary Emacs lists.

I can't wait to show the results, to be honest. (6/7)

The installation aspect of Emacs Indigo was a key focus: finally, I reduced it to a simple one-liner that only requires GCC/Make and an Emacs installation with module support.

The build system handles Indigo dependencies automatically (on Linux, at least). (5/7)

Current implementation of Emacs Indigo provides:

- Core molecular operations (properties, calculations, format conversions)
- Iterator system for structure traversal
- Rendering and visualization
- Reaction handling and atom mapping
- Format support: SMILES, MOL, CML, reaction SMILES

(4/7)

Memory management is handled automatically through `indigo-let*`, a macro that takes care of cleanup when working with persistent molecule handles:

(indigo-let* ((:molecule mol "CCO")
(:atoms atoms mol))
(indigo-map #'indigo-symbol atoms))
;; => ("C" "C" "O")

(3/7)

The package provides Emacs Lisp bindings through a native C module.

You can work with molecules directly in Emacs: load structures, convert formats (SMILES, MOL, CML), calculate properties, perform substructure matching, and render visualizations (both in PNG and SVG, yes). (2/7)

Thank you, appreciate the support! I'd be happy to have people try out this early implementation and giving me feedbacks: right now, I'm writing a lazy-stream implementation to handle all the iterators idiomatically, avoiding the need to eagerly copy results into temporary Emacs lists

minchia veramente

Finally on maaaain ~

github.com/gicrisf/emac...

#chemistry #cheminformatics #emacs #lisp

It works so well, I can't wait to publish it

Want to try it?

No global installation needed, just a couple of CLI commands or few clicks in the wizard. Check the Quickstart paragraph:

github.com/gicrisf/wind...

I'd say Iced because of the elm-like state management, but both are cool