Re: [Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project

2018-04-25 Thread Markus Sitzmann 
Yes, great news. Matt has really started a very nice work there. I hope it can 
be turned into something like a well-documented, open standard for molecule 
standardization.

Markus

-
|  Markus Sitzmann
|  markus.sitzm...@gmail.com

> On 26. Apr 2018, at 00:29, Paul Czodrowski  
> wrote:
> 
> Susan, great news, looking forward to this project, enjoy GSoC!  Paul
>  
> Von: Susan Leung [mailto:susan.le...@st-hildas.ox.ac.uk] 
> Gesendet: Mittwoch, 25. April 2018 23:35
> An: rdkit-discuss@lists.sourceforge.net
> Betreff: [Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code 
> Project
>  
> Hi all, 
> 
> I am really excited and happy to let you know that I will be working with 
> Greg on a RDKit-MolVS integration project as part of the Open Chemistry 
> Google Summer of Code. 
> 
> I have followed and used the RDKit mailing list since the start of my PhD and 
> have used both RDKit and MolVS in my workflow so I'm very excited to have the 
> opportunity to contribute to the code base.
> 
> In this project we aim to expand the current capabilities of MolVS and 
> integrate it into RDKit so hopefully by the end of it, you will see 
> improvements in the molecular standardisation tools available in RDKit. 
> 
> Best wishes,
> 
> Susan
>  
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Re: [Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project

2018-04-25 Thread Paul Czodrowski 
Susan, great news, looking forward to this project, enjoy GSoC!  Paul

Von: Susan Leung [mailto:susan.le...@st-hildas.ox.ac.uk]
Gesendet: Mittwoch, 25. April 2018 23:35
An: rdkit-discuss@lists.sourceforge.net
Betreff: [Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project

Hi all,

I am really excited and happy to let you know that I will be working with Greg 
on a RDKit-MolVS integration project as part of the Open Chemistry Google 
Summer of 
Code<https://summerofcode.withgoogle.com/organizations/6513013473935360/>.

I have followed and used the RDKit mailing list since the start of my PhD and 
have used both RDKit and MolVS in my workflow so I'm very excited to have the 
opportunity to contribute to the code base.

In this project we aim to expand the current capabilities of MolVS and 
integrate it into RDKit so hopefully by the end of it, you will see 
improvements in the molecular standardisation tools available in RDKit.

Best wishes,

Susan



This message and any attachment are confidential and may be privileged or 
otherwise protected from disclosure. If you are not the intended recipient, you 
must not copy this message or attachment or disclose the contents to any other 
person. If you have received this transmission in error, please notify the 
sender immediately and delete the message and any attachment from your system. 
Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept 
liability for any omissions or errors in this message which may arise as a 
result of E-Mail-transmission or for damages resulting from any unauthorized 
changes of the content of this message and any attachment thereto. Merck KGaA, 
Darmstadt, Germany and any of its subsidiaries do not guarantee that this 
message is free of viruses and does not accept liability for any damages caused 
by any virus transmitted therewith.



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[Rdkit-discuss] RDKit-MolVS intergration: Google Summer of Code Project

2018-04-25 Thread Susan Leung 
Hi all,

I am really excited and happy to let you know that I will be working with Greg 
on a RDKit-MolVS integration project as part of the Open Chemistry Google 
Summer of 
Code.

I have followed and used the RDKit mailing list since the start of my PhD and 
have used both RDKit and MolVS in my workflow so I'm very excited to have the 
opportunity to contribute to the code base.

In this project we aim to expand the current capabilities of MolVS and 
integrate it into RDKit so hopefully by the end of it, you will see 
improvements in the molecular standardisation tools available in RDKit.

Best wishes,

Susan
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