rdkit/rdkit-js

Issues

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

  #503 opened 2 months ago by papillot
  0

• Molfile with SuperAtoms render shows a disconnected superAtom group at the corner

  #500 opened 2 months ago by gandha9394
  0

• Properties are not extracted from SDF files

  #489 opened 3 months ago by nishanthmerwin
  3

• remove_hs function removes deuterium/tritium atoms

  #438 opened a year ago by markarchibald
  8

• Not able to set different lengths for fingerprints

  #482 opened 5 months ago by projectmx3
  2

• ACS1996 drawing

  #474 opened 7 months ago by jaechang-hits
  0

• Is it possible to change bond line color ?

  #467 opened 8 months ago by bae-sh
  0

• New Release Request

  #454 opened 8 months ago by lounsbrough
  1

• Offline usage examples

  #160 opened 2 years ago by MichelML
  5

• Uncaught error for qmol get_svg()

  #451 opened 10 months ago by atfera
  0

• Achieve 3D coordinate generation using RDKit.js?

  #338 opened 2 years ago by ben-ikt
  2

• It is not possible to obtain an InChI Key from a molecule with the same options as in Python

  #449 opened 10 months ago by BenoitClaveau
  1

• Bond Labels

  #447 opened a year ago by cfarm6
  0

• Question: Is initRDKitModule safe to call repeatedly

  #436 opened a year ago by fredludlow
  1

• How to render smile as a Lewis structure

  #388 opened a year ago by rafalou38
  3

• How to use get_mol() on pdb proteins?

  #416 opened a year ago by dschlesinger
  4

• Hiding formal charges

  #418 opened a year ago by horgerj
  0

• More examples on how to load rdkit-js in various javascript and typescript context

  #159 opened 2 years ago by MichelML
  5

• Handle compressed WASM file?

  #404 opened a year ago by coleshaw
  0

• Attach click event handler to hidden carbones

  #257 opened 2 years ago by ben-ikt
  3

• npm i @rdkit/rdkit, future directions

  #389 opened a year ago by MichelML
  7

• Dark mode activation

  #369 opened a year ago by Aenardhil
  3

• draw polygons

  #295 opened 2 years ago by ashipiling
  1

• [RDKit_minimal.js]: Assign `initRDKitModule` to WorkerGlobalScope if possible

  #326 opened 2 years ago by xuzuodong
  7

• Need Tanimoto Similarity Search in the rdkit/rdkit-js like RDKIT

  #293 opened 2 years ago by caok2709
  5

• New Js Example: Top level await implementation for modern Browsers

  #337 opened 2 years ago by filoscoder
  2

• Convert repository architecture to be a multi-package mono-repo

  #134 opened a year ago by MichelML
  0

• Add svelte examples

  #290 opened a year ago by MichelML
  0

• [infra] - fix vercel deployment of demos

  #297 opened a year ago by MichelML
  0

• React Example bug

  #361 opened a year ago by kulmes
  2

• A small bug with the molblock example in docs.

  #356 opened a year ago by firtrfl
  1

• NextJS Server-side App Router Compatibility

  #359 opened a year ago by sgoodrow-zymergen
  1

• Cannot Generate Molecule From MolFile - No Examples?

  #357 opened a year ago by Eelesy
  1

• 2022_03_2 rdkit-js release build is failing

  #347 opened a year ago by MichelML
  4

• Cannot use RDKitModule.get_mol() with InChI

  #353 opened a year ago by ellensmalley
  3

• Angular examples website build and deployment are failing

  #332 opened 2 years ago by MichelML
  4

• Q1 2023 release broke some examples

  #334 opened 2 years ago by adam-of-barot
  3

• Use rdkit-js as vanilla.js without wasm module

  #272 opened 2 years ago by ninabina921
  9

• Request for access to atoms and atom properties

  #294 opened 2 years ago by baoilleach
  3

• Losing bond stereo on molecules

  #296 opened 2 years ago by mwojcikowski
  1

• RuntimeError: Aborted(OOM). Build with -sASSERTIONS for more info.

  #287 opened 2 years ago by ashipiling
  2

• Port azure pipeline to main rdkit repo

  #258 opened 2 years ago by MichelML
  0

• how can i use GenerateDepictionMatching2DStructure in js

  #235 opened 2 years ago by wanghmalan
  1

• Expose highlightAtomColors and highlightBondColors as in the python package

  #212 opened 2 years ago by ben-ikt
  3

• TypeError when used the 'MoleculeStructure.vue' in VUE

  #191 opened 2 years ago by ZhitaoTian
  3

• TypeScript - add clear docstrings to all methods and interfaces in typescript/index.d.ts

  #164 opened 2 years ago by MichelML
  0

• Remove azure pipeline check on pull request

  #140 opened 2 years ago by MichelML
  1

• Write a rescoped readme in the minimallib source code post release of the official rdkit-js repository

  #130 opened 2 years ago by MichelML
  0

• Remote distribution files from unpkg.com unavailable

  #133 opened 2 years ago by mdeagen
  2

• Revisit files being published with the npm package (some are probably outdated)

  #129 opened 2 years ago by MichelML
  0