On 20/03/2020 08:43, JW Feng wrote:
iwatobipen blog was where I found instructions for installing RDKit on
Colab. It works but I found waiting for miniconda to install to be
too annoying. A one line apt-get command to install RDKit is easier
and faster (~10 seconds) but it only works with
iwatobipen blog was where I found instructions for installing RDKit on
Colab. It works but I found waiting for miniconda to install to be too
annoying. A one line apt-get command to install RDKit is easier and faster
(~10 seconds) but it only works with Python 2. Running following command
in a
Dear Steve, Greg and All,
Recently I moved from clab to Binder to make cloud env with python.
However I'll try to make my code more compact and share it.
Thanks for following my blog post. ;) https://iwatobipen.wordpress.com/
Best regards,
Taka (tiwtter account / iwatobipen)
2020年3月16日(月)
On Tue, Mar 10, 2020 at 12:40 AM JW Feng wrote:
> Are you sure depictions in GSheet wouldn't be a good GSoC project?
>
Pretty sure. The major problem is that for a GSoC project to succeed you
really need a mentor available who understands the underlying technology
and who can answer questions
Thanks Steve,
That's really helpful. Given that we're unlikely to end up with a decent
pip-installable RDkit, I guess the snippet approach would be the best way
to go. I will try to make some time for this (or convince iwatobipen to do
it) in the reasonably near future.
Best,
-greg
On Sun, Mar
re: rdkit+colab
In talking with folks outside of Google about rdkit+colab, I haven't been
able to establish that it's worth the trouble of making rdkit a default
dependency. It seems that a rather compact incantation
Are you sure depictions in GSheet wouldn't be a good GSoC project? I will
ask around to find volunteers to connect with you on GSheets and Colab.
On Fri, Mar 6, 2020 at 8:14 PM Greg Landrum wrote:
> Hi JW,
>
> I don't think it's a great GSoC project for a couple of reasons, but I'd
> love to
Hi JW,
I don't think it's a great GSoC project for a couple of reasons, but I'd
love to have RDKit integration in Google Sheets and am willing to do some
work to make that happen. I can poke around a bit to see about how we could
use the new RDKit-JS wrappers, but having access to someone with
"Cells in columns named SMILES, or have SMILES as a substring in the
header, will be depicted in 2D using RDKit"
Sounds like a great project, but I think the above can be improved upon as
a specification. In many or even most situations, users will want to be
able to view the SMILES as a string
Project suggestion:
Project 1:
Implement 2D structure depiction in Google Spreadsheets. My colleagues at
Google think this is very doable. Being able to depict structures in
Google Spreadsheets will dramatically increase collaboration between
scientists. Imaging being able to provide comments
Dear all,
I'm happy to share that the RDKit will once again be part of Google Summer
of Code in 2020. This is a program where Google funds students to work on
open-source projects for a couple of months over the summer. We've
participated in each of the last three years and had some cool stuff
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