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

Would it be possible to expose the MCSS, MMPA and fragmentation routines that are behind flags in MinimalLib compilation? #503

Open
papillot opened this issue Oct 29, 2024 · 0 comments

Comments

@papillot
Copy link

Is your feature request related to a problem? Please describe.
I would like to use the MCSS functions which were recently made available in MinimalLib, but the RDKitModule object generated from the latest npm package (2024.3.5.1) does not expose them.

Describe the solution you'd like
I understand that there are drawbacks in exposing every method that's available to the standard package that is distributed to millions of users, because it can increase substantially the payload.
I would like to have access to a version of RDKit.js that contains the latest features. This could be distributed along with the current version. One would have to either copy the correct file from the node_modules dir or point to the correct module in the import directive.

Describe alternatives you've considered
Other alternatives could be to compile my own version of RDKit. The issue is that the artifacts must be available to other third parties (e.g. in CI pipelines or other users)

Additional context
None
(as an aside, I've noticed that the npm package contains 2 copies of the 6.3MB wasm file, one in /dist and one in /Code/MinimalLib/dist)

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

1 participant