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

join forces? molecule-resolver + py2opsin #25

Open
simonmb opened this issue Nov 29, 2024 · 1 comment
Open

join forces? molecule-resolver + py2opsin #25

simonmb opened this issue Nov 29, 2024 · 1 comment

Comments

@simonmb
Copy link

simonmb commented Nov 29, 2024

Hi @jonwzheng, @JacksonBurns, I have been working on the MoleculeResolver for some time. As far as I can see, it would not take much to incorporate the features the py2opsin has into the MoleculeResolver as I already have automatic jar downloading of the latest opsin version and batch conversion. With som additional switches we could consolidate the features into one project that gives greater value to the user, what do you think?

@simonmb simonmb changed the title joni forces? molecule-resolver + py2opsin join forces? molecule-resolver + py2opsin Nov 29, 2024
@JacksonBurns
Copy link
Owner

Hi @simonmb we appreciate your interest! We prefer to keep py2opsin as the very minimal package that it is, especially with regards to it having no dependencies and not requiring a network connection. I have opened a PR on your repository to make MoleculeResolver use py2opsin - please let me know how it looks, and if you are interested in that as a path forward. We are happy to add a link to MoleculeResolver in our README examples section if we end up merging that 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

No branches or pull requests

2 participants