Re: [Rdkit-discuss] Generating Fingerprints from Smiles or Mol

On Fri, Jan 4, 2019 at 1:59 PM Jason Ochoada wrote: > > Thanks so much for taking the time to help! I didn't realize the size > limit recommendation for pandas so maybe that's why I don't see much of it. > Yeah, Pandas is designed to keep the entire dataframe in memory. This makes things

[Rdkit-discuss] 答复: 转发: Reading the fingerprint

Hi Greg, Thank you so much for the help! Pure RDKit functionality really helpful! Thanks, Xuan 发件人: Greg Landrum 发送时间: 2019年1月4日 0:08 收件人: Cao Xuan 抄送: rdkit-discuss@lists.sourceforge.net 主题: Re: [Rdkit-discuss] 转发: Reading the fingerprint Hi Xuan, The

Re: [Rdkit-discuss] Generating Fingerprints from Smiles or Mol

Hi Greg, Thanks so much for taking the time to help! I didn't realize the size limit recommendation for pandas so maybe that's why I don't see much of it. I often work on much larger scale and was investigating moving from KNIME to RDKit on Linux for that reason. The curve is just steep right