[Rdkit-discuss] 2022 RDKit UGM registration open

2022-03-03 Thread Greg Landrum
Dear all, This year's RDKit UGM will take place in Berlin, Germany from 12-14 October. The organizers are the Machine Learning Research group from Bayer Pharma. We're planning the UGM as an in-person event, but we will, assuming the technology works, also live stream the sessions. Free

[Rdkit-discuss] JS funtionality

2022-03-03 Thread Tim Dudgeon
Is there a full list of the RDKit functionality that is available from the JavaScript bindings ( https://github.com/rdkit/rdkit/tree/master/Code/MinimalLib)? Maybe I'm missing the obvious, but I can only find the examples e.g.

Re: [Rdkit-discuss] JS funtionality

2022-03-03 Thread Paolo Tosco
Hi Tim, Apart from the HTML demo page that you mentioned, you can find the current JS bindings here: https://github.com/rdkit/rdkit/blob/4bbbc6611dbe4bf05ed36ea795b3c6dc39bbdebc/Code/MinimalLib/jswrapper.cpp#L112 There's support for visualizing molecules from SMILES and CTAB, but currently no

Re: [Rdkit-discuss] deprotection of dimthyl acetal?

2022-03-03 Thread Bennion, Brian via Rdkit-discuss
Perfect! I was struggling with the tuple in the reaction syntax. Adding the comma did the trick for the reaction, previously i was using rxn.RunReactants((m)) and receiving errors. very much appreciate the steps for the deprotection. The reaction is much more straightforward for my use

Re: [Rdkit-discuss] Cheminformatics Intern at Blueprint Medicine

2022-03-03 Thread Christopher Mayer-Bacon
Looks to be up my alley. What would the pay be? Housing in that area can’t be cheap, even for a few months. -Chris On Thu, Mar 3, 2022 at 7:43 PM Cheng Fang wrote: > Hello Everyone, > > We are looking for a 12-weeks intern position at Blueprint Medicines from > June to August 2022 (could be

Re: [Rdkit-discuss] Cheminformatics Intern at Blueprint Medicine

2022-03-03 Thread Cheng Fang
Hi Chris, Thank you for your interest! This position will be 100% remote. No need to relocate. Welcome to apply! Cheng On Thu, Mar 3, 2022 at 8:29 PM Christopher Mayer-Bacon wrote: > Looks to be up my alley. What would the pay be? Housing in that area > can’t be cheap, even for a few

[Rdkit-discuss] Cheminformatics Intern at Blueprint Medicine

2022-03-03 Thread Cheng Fang
Hello Everyone, We are looking for a 12-weeks intern position at Blueprint Medicines from June to August 2022 (could be flexible). The student will have the opportunity to develop an automatic de novo molecular design tool using cheminformatics (RDKIT is preferred) and Python programming. Please