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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?
The text was updated successfully, but these errors were encountered:
simonmb
changed the title
joni forces? molecule-resolver + py2opsin
join forces? molecule-resolver + py2opsin
Nov 29, 2024
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.
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?
The text was updated successfully, but these errors were encountered: