Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Add equations to the docs #978

Closed
lockwo opened this issue Jul 11, 2024 · 6 comments · Fixed by #987
Closed

Add equations to the docs #978

lockwo opened this issue Jul 11, 2024 · 6 comments · Fixed by #987

Comments

@lockwo
Copy link

lockwo commented Jul 11, 2024

It would be beneficial to have the basic equations for what the ODE/SDE systems are actually getting converted into in the docs. For example, just put eq 23 of https://homepages.inf.ed.ac.uk/stg/research/stochasticsimulation/papers/JChemPhys_113_297.pdf for the SDE system

@lockwo
Copy link
Author

lockwo commented Jul 11, 2024

The reaction DSL could perhaps just have the SDE case along with the existing ODE case

@TorkelE
Copy link
Member

TorkelE commented Jul 11, 2024

There is an equation here: https://docs.sciml.ai/Catalyst/dev/introduction_to_catalyst/introduction_to_catalyst/#Chemical-Langevin-equation-(CLE)-stochastic-differential-equation-(SDE)-models, but increasing visibility for stuff like this would probably make sense. We had a plan on also adding a dedicated theory section that goes through stuff like this properly, but wouldn't be certain when that would actually be ready.

Not sure what you mean with

The reaction DSL could perhaps just have the SDE case along with the existing ODE case

@isaacsas
Copy link
Member

I think adding a section that complements the rate law section by showing the equations makes sense. We can then link it there and have it as a standalone page. It would be good to both give general formulas and some specific examples there.

@TorkelE
Copy link
Member

TorkelE commented Jul 11, 2024

Agreed. I remember when I read through the literature for my PhD, it was surprisingly hard to find a good resource which simply listed all the various equations derived from CRNs in a straightforward manner. Creating such a resource would probably be beneficial to the community. Also then using it as a link makes loads of sense, yeah, I think that could become very good.

@isaacsas
Copy link
Member

It is worth mentioning that we don't exactly in the SDE case generate equation (23), we generate the analogoue of (23) but using the ODE rate laws in place of the propensities. I opened another issue about adding (23) as an option to generate too.

@lockwo
Copy link
Author

lockwo commented Jul 16, 2024

Thanks for the quick PR!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging a pull request may close this issue.

3 participants