Hi Greg,
I just saw it is available in the conda-forge channel (with a time stamp of
2 hours + a few minutes), however, if I install it from there (in a fresh
container) I receive 2018_09_1 - only when I explicitly force version
2018_09_2 I receive it (and at a very fast glance it is running).
Bu
Dear all,
I normally don't announce the patch releases, but there are a couple of
changes with the conda builds, so I figured I should probably mention it.
:-)
This time I did builds for:
Python 3.7: Mac, Linux, Windows
Python 3.6: Mac, Linux, Windows
Python 2.7: Mac, Linux
The boost and numpy d
Dear all,
This year's RDKit UGM will take place from 25-27 September in at the
University of Hamburg in Hamburg, Germany. Emanuel Ehmki will be the
organizer/host this time around.
We'll put together the usual announcement and registration page over the
next couple of weeks, but definitely go ahe
Dear all,
Being that I (and I guess others) often have general cheminformats
questions I want to propose to add a general discussion thread, e.g "RDKit
general"
There is a cheminformatics tag on the chemistry.stackexchange but I find
the RDKit community much more open-minded, highly specialized an
Hi Greg,
thanks for your input, this is quite faster!
Cheers,
Jose Manuel
On 21.02.19 09:48, Greg Landrum wrote:
This is a nice solution to the problem. Thanks for sharing it!
I think there is, however a minor mistake. This line:
df['mol'] = df['mol'].map(lambda x:
base64.b64encode(pickle.d
This is a nice solution to the problem. Thanks for sharing it!
I think there is, however a minor mistake. This line:
df['mol'] = df['mol'].map(lambda x:
base64.b64encode(pickle.dumps(x)).decode())
should be:
df['mol'] = df['mol'].map(lambda x: base64.b64encode(x.ToBinary()).decode())
You could
6 matches
Mail list logo
