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Andrew Dalke
Andrew Dalke
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Posts in Open Babel
1234 ... 7
Show   Total: 135 items
Date Subject Count Location
Re: broken link 0 replies General discussion
Re: Calculating fingerprints of a list of SMILES 0 replies General discussion
Re: how to use the new ECFP<n> fingerprints? 0 replies General discussion
Re: how to use the new ECFP<n> fingerprints? 2 replies General discussion
Re: how to use the new ECFP<n> fingerprints? 3 replies General discussion
how to use the new ECFP<n> fingerprints? 5 replies General discussion
Re: wrong 0 replies General discussion
Re: Change to SMILES writer for hypervalent atoms 1 reply openbabel-devel
Re: Change to SMILES writer for hypervalent atoms 3 replies openbabel-devel
Re: SMARTS question 0 replies General discussion
Re: 'Canonicalizing' 1 reply General discussion
Re: Generating all-by-all Tanimoto similarity scores in Microsoft GUI 1 reply General discussion
Re: pybel calcfp() mismatch? 0 replies General discussion
Re: pybel calcfp() mismatch? 3 replies General discussion
Re: Maximum common substructure (MCS) with OpenBabel 0 replies General discussion
Re: Error in Pybel.readstring() - smi format not recognized 0 replies General discussion
Re: Error in Pybel.readstring() - smi format not recognized 1 reply General discussion
Re: Error in Pybel.readstring() - smi format not recognized 6 replies General discussion
Re: Error in Pybel.readstring() - smi format not recognized 8 replies General discussion
Re: Error in Pybel.readstring() - smi format not recognized 10 replies General discussion
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