Paolo Tosco

The `rdkit-js` release cycle follows the main `rdkit` repo release cycle, which is reported here: https://github.com/rdkit/rdkit/milestones Alternatively, as soon as I have made the change in `master` and it has...

@markarchibald Sorry, this one slipped through the cracks. `JSMol::remove_hs()` calls `MolOps::removeAllHs()` which will remove ALL hydrogens, including isotopic ones. I had very limited time to dedicate to community requests during...

@baoilleach Hi Noel, currently getters/setters for atom and bond properties are not exposed. I agree they would be useful and it would be good to expose them to JS, together...

@ninabina921 In case this is still of interest, here: https://github.com/rdkit/rdkit-structure-renderer/blob/master/public/RDKit_minimal_plainJs.1.1.11.js you may find a vanilla JS version of the RDKit MinimalLib, which was compiled to plain JS with `emscripten`.

Yes, we can. Well, the main drawback is that performance is worse. The main plus is that it can be used in headless browsers like PhantomJS and Puppeteer.

@BenoitClaveau I will expose the standard InChI options to JS, I can see how that can be useful.

@MichelML You only need to add the following `CMAKE_EXE_LINKER_FLAGS`: `--memory-init-file 0 -s WASM=0`.

@TeletcheaLab Hi Stéphane, It should just be a matter of re-generating `package-lock.json` on a non-Novartis machine to replace that repo with the public `npm` repo - give me a few...

@TeletcheaLab I have published an updated `[email protected]` package that should solve the problem. Could you please let me know if you still have issues?

If you run `npm run serve` it will load a test `index.html` page with several examples that will help you getting started. As soon as I find a bit of...