Discussions

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  Add molecules collapses structure as shown

  shyamramesh asked Mar 31, 2024 in Q&A · Unanswered

  

  

  

  

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  Regarding the matching of Smart and Smiles in GenericQueries

  Bellsteam asked Apr 28, 2024 in Q&A · Unanswered

  

  

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  Interpreting the results of controllingAtoms (stereoAtoms) in StereoInfo

  najwalb asked May 2, 2024 in Q&A · Answered

  

  

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  2024_03_1 (Q1 2024) Release

  greglandrum started May 2, 2024 in Development

  

  

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  Best way to understand if CXSMILES chiral flag is set?

  someonetookmyname asked Mar 12, 2024 in Q&A · Answered

  

  

  

  

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  The M chip's macOS cannot install rdkit-stubs through conda-forge.

  Mrz-zz asked Apr 30, 2024 in Q&A · Unanswered

  

  

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  C++ RDKit::SubstructMatch Result Different from the Python Implementation

  NiBoyang asked Apr 27, 2024 in Q&A · Closed · Answered

  

  

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  Error in GetMorganFingerprintAsBitVect

  Ilars asked Apr 19, 2024 in Q&A · Unanswered

  

  

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  Reading in wavy bonds from V3K mol blocks

  pechersky asked Apr 22, 2024 in General · Unanswered

  

  

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  MACCS 166 Fingerprint Calculation for 3D QSAR Study

  ariadnallop asked Apr 23, 2024 in General · Unanswered

  

  

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  In RDKitJS does one need to delete all the molecules inside a JSMolList

  syedzayyan started Apr 11, 2024 in Development · Closed

  

  

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  Strategies for Parallelized Comparison and De-duplication of SDF Files in a Memory-Constrained Environment

  Poccia asked Apr 12, 2024 in Q&A · Answered

  

  

  

  

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  Can MolToSmiles force the SMILES to start&end at a particular atom??

  Haoxu11225 asked Feb 29, 2024 in Q&A · Unanswered

  

  

  

  

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  Adding reaction details (catalyst, base, solvents their amounts, temp etc) above and below the reaction arrow as required

  SimonMutton81 asked Apr 18, 2024 in Ideas · Unanswered

  

  

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  Can I build RDKIt on ARM64 architecture?

  tnguy271 started Oct 26, 2022 in Development

  

  

  

  

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  Registration for the 2024 RDKit UGM now open

  greglandrum asked Mar 13, 2024 in General · Unanswered

  

  

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  ❓

  Typical Chemical Descriptor Values

  Allen2019 asked Apr 14, 2024 in FAQ · Unanswered

  

  

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  What conformer generation settings are the most loose / have highest success rate?

  j-adamczyk asked Apr 13, 2024 in Q&A · Unanswered

  

  

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  Mol File renders image as Unexpected.

  Suganesh-repo asked Mar 31, 2024 in Q&A · Unanswered

  

  

  

  

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  Can I get the largest substructure that contains a specific substructure?

  YoavShamir5 asked Mar 28, 2024 in Q&A · Answered

  

  

  

  

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  error with sdf when using SDMolSupplier

  migueltarancon asked Apr 5, 2024 in Q&A · Answered

  

  

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  How to autocomplete in VSCode?

  AlexHex7 asked May 31, 2023 in Q&A · Unanswered

  

  

  

  

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  Fragmentation of PROTAC molecules

  JIBSN asked Jul 31, 2023 in Q&A · Unanswered

  

  

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  Catch specific errors/warnings when creating mol objects?

  kienerj asked Apr 5, 2024 in Q&A · Closed · Unanswered

  

  

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  Draw Option for below queires

  urekam712 asked Apr 4, 2024 in Q&A · Unanswered

  

  

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