Hello,
I created two CPP scoring functions based on your QED and SA_score python
code. I tried implementing it as close as possible to get matching scores.
Just to see if the code works. I have succeeded, which is exciting! I
converted the SMILES strings of various molecules into ROMol objects,
Hi Zoltan,
try adding to your cmake command -DBoost_NO_BOOST_CMAKE=ON.
Cheers,
p.
On Wed, Oct 28, 2020 at 9:32 PM Zoltan Takacs wrote:
> Hi,
>
> I am trying to compile rdkit version 2020-09-1 from source on MacOS
> Catalina 10.15.7. Has anyone managed to do this without the boost errors? I
>
Hi,
I am trying to compile rdkit version 2020-09-1 from source on MacOS Catalina
10.15.7. Has anyone managed to do this without the boost errors? I have boost
1.74 installed and I also compiled boost 1.72 from source. if I want switch to
the little bit older boost libraries by passing
I found that on the NY Public Library web site, the book is available,
chapter by chapter, as a digital download, if you have a library card. The
host site is at John’s-Hopkins, so check your local library system, which
might also supply access.
-P.
On Wed, Oct 28, 2020 at 12:08 PM Cyrus Maher
Hi Andrew,
Thank you! This is so thorough, and so helpful. We truly appreciate it.
All the best,
-Cyrus
On 10/27/20, 4:28 AM, "Andrew Dalke" wrote:
** EXTERNAL EMAIL **
On Oct 26, 2020, at 17:41, Cyrus Maher wrote:
> I’m wondering if there is an easy way to retrieve the atom
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