Samo Turk und Rdkit-Discuss - Info zur Person

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Re: [Rdkit-discuss] Additional functionality for PandasTools

sourceforge.net

Samo, On Fri, Nov 15, at 1:53 PM, Samo Turk wrote: > > I added some functions to RDKit PandasTools.py. This is the pull request: ... › ... › RDKit

Re: [Rdkit-discuss] RDKit on armv7h | RDKit

sourceforge.net

From: Samo Turk <samo.turk@gm...> :03:48. Attachments: Message as HTML. Thanks! It seems to work, but it's still compiling. Rockchip CPU in ...

Re: [Rdkit-discuss] RDKit on armv7h | RDKit

sourceforge.net

... at 5:08 PM, Samo Turk <samo.turk@...> wrote: > > Dear RDKit community, > > I have trouble compiling RDKit on Arch Linux on armv7h cpu.

Re: [Rdkit-discuss] RDKit on armv7h | RDKit

sourceforge.net

On Thu, Jun 1, at 12:03 AM, Samo Turk <samo.turk@...> wrote: > Thanks! It seems to work, but it's still compiling. Rockchip CPU in my ...

Sanitization error: Can't kekulize mol - rdkit-discuss.narkive.com

rdkit-discuss.narkive.com

WebSamo Turk :46:45 UTC. Permalink. Hi Greg, Thanks for quick reply! I noticed that it works if it is constructed from SMILES, but the queries I usually have are more …

[Rdkit-discuss] (Q ) RDKit Release

rdkit-discuss.narkive.com

WebPaolo Tosco, Samo Turk, JL Varjo, Riccardo Vianello Highlights: - A new algorithm for generating canonical atom orders. The new algorithm is faster and more robust than the …

[Rdkit-discuss] Chem.PandasTools

rdkit-discuss.narkive.com

WebSamo Turk :01:19 UTC. Permalink. Hi, You can create new object that stores MMP and has default pandas and ipython representation as base64 encoded png. This …

[Rdkit-discuss] FYI: the RDKit is incompatible with numpy v1.9

rdkit-discuss.narkive.com

WebPost by Samo Turk Hi, Was this resolved? It seems to work for me with numpy v Samo. Post by Greg Landrum Dear all, Riccardo and I have "accidentally" discovered …

Re: [Rdkit-discuss] RDKit on armv7h

www.mail-archive.com

wojcikowski.pl :45 GMT+02:00 Samo Turk &>: > I'll just install debian in chroot and test if armv7 binary from ...

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