Hi All,
I have been generating explicit bit strings of RDKit fingerprints and was
surprised by this result. Is this the expected behaviour? From the
documentation it looks like the default length should be 2048.
Interestingly if I call the RDKFingerprint method directly the lengths are
all the
Hi Dave,
On Thu, Sep 25, 2014 at 9:53 AM, Dave Wood davejw...@molplex.com wrote:
Hi All,
I have been generating explicit bit strings of RDKit fingerprints and was
surprised by this result. Is this the expected behaviour? From the
documentation it looks like the default length should be
As expected a simple answer. I didn't realise the 'reagents' had to be ordered.
Thanks Greg.
Best,
Nick
Nicholas C. Firth | PhD Student | Cancer Therapeutics
The Institute of Cancer Research | 15 Cotswold Road | Belmont | Sutton | Surrey
| SM2 5NG
T 020 8722 4033 | E
We are looking for two postdocs.
The first post is to work on the development and application of
computational models for cancer pharmacogenomics:
http://crcm.marseille.inserm.fr/fileadmin/Bioinformatics_Scientist_-_job_description.pdf
The second post will investigate and apply computational
Dear RDKitter,
on my new Windows laptop, I run into this issue:
import pandas as pd
import rdkit.Chem as Chem
from rdkit.Chem import PandasTools
=
ValueErrorTraceback (most recent call
last)
ipython-input-6-52de9e808c94 in module()
1 import pandas as pd
On 25/09/14 18:06, paul.czodrow...@merckgroup.com wrote:
Dear RDKitter,
on my new Windows laptop, I run into this issue:
import pandas as pd
import rdkit.Chem as Chem
from rdkit.Chem import PandasTools
=
ValueError Traceback (most recent call last)
ipython-input-6-52de9e808c94in
height has been deprecated.
but, it works!
thanks, paul!!!
paul
From: Paul Emsley pems...@mrc-lmb.cam.ac.uk
To: rdkit-discuss@lists.sourceforge.net,
Date: 25.09.2014 19:32
Subject:Re: [Rdkit-discuss] PandasTools on Windows iPython
notebook
On 25/09/14 18:06,
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