If you're looking for a more ML oriented program. I'd recommend David Koes group at Pitt. https://www.csb.pitt.edu/people/faculty/david-koes/
Jacob Durrant is also doing interesting work in another department at Pitt https://durrantlab.pitt.edu/people/ On Tue, Jul 20, 2021 at 2:47 AM Stiefl, Nikolaus < nikolaus.sti...@novartis.com> wrote: > Hi Patrick, > > Sorry yet another non US-based lab but I will still throw in Sereina > Riniker’s group (Riniker, Sereina, Prof. Dr. | ETH Zurich > <https://riniker.ethz.ch/the-group/person-detail.MTIwNjc3.TGlzdC8xNDkzLC04NTQ1MTI4MDM=.html>) > who recently attracted quite some talent ;-) > > Ciao > > Nik > > > > *From:* Markus Sitzmann <markus.sitzm...@gmail.com> > *Sent:* Monday, July 19, 2021 10:34 PM > *To:* RDKit Discuss <rdkit-discuss@lists.sourceforge.net> > *Subject:* Re: [Rdkit-discuss] Cheminformatics Graduate School > Recommendations? > > > > *This Message is from an External Sender. Do not click links or open > attachments unless you trust the sender.* > > Hi Patrick, > > > > labs I would take a look at (in no particular order and well, a bit heavy > on European labs): > > > > Irwin Lab, UCFS: https://profiles.ucsf.edu/john.irwin > <https://urldefense.com/v3/__https:/profiles.ucsf.edu/john.irwin__;!!N3hqHg43uw!4SVjmv6awC5dpjXaiAsrD8S_Kgc6f05OMDIu3E4I8ByCJp6a5hbOTC2dI7McTn9BDe9-jA$> > > Bajorath Group, Bonn, Germany: > https://www.limes-institut-bonn.de/forschung/arbeitsgruppen/unit-4/abteilung-bajorath/abt-bajorath-startseite/ > <https://urldefense.com/v3/__https:/www.limes-institut-bonn.de/forschung/arbeitsgruppen/unit-4/abteilung-bajorath/abt-bajorath-startseite/__;!!N3hqHg43uw!4SVjmv6awC5dpjXaiAsrD8S_Kgc6f05OMDIu3E4I8ByCJp6a5hbOTC2dI7McTn-xtQfhLg$> > > Reymond Group, Bern, Switzerland: https://www.gdb.unibe.ch/ > <https://urldefense.com/v3/__https:/www.gdb.unibe.ch/__;!!N3hqHg43uw!4SVjmv6awC5dpjXaiAsrD8S_Kgc6f05OMDIu3E4I8ByCJp6a5hbOTC2dI7McTn8WQPaNSw$> > > Rarey Group, Hamburg, Germany: > https://www.zbh.uni-hamburg.de/personen/amd/mrarey.html > <https://urldefense.com/v3/__https:/www.zbh.uni-hamburg.de/personen/amd/mrarey.html__;!!N3hqHg43uw!4SVjmv6awC5dpjXaiAsrD8S_Kgc6f05OMDIu3E4I8ByCJp6a5hbOTC2dI7McTn8rGQHQWw$> > > Leach Team, Cambridge, UK: https://www.ebi.ac.uk/about/people/andrew-leach > <https://urldefense.com/v3/__https:/www.ebi.ac.uk/about/people/andrew-leach__;!!N3hqHg43uw!4SVjmv6awC5dpjXaiAsrD8S_Kgc6f05OMDIu3E4I8ByCJp6a5hbOTC2dI7McTn9EENBYsA$> > > Czodrowski Lab, Dortmund, Germany: https://www.czodrowskilab.org/team > <https://urldefense.com/v3/__https:/www.czodrowskilab.org/team__;!!N3hqHg43uw!4SVjmv6awC5dpjXaiAsrD8S_Kgc6f05OMDIu3E4I8ByCJp6a5hbOTC2dI7McTn-K6sC2sw$> > > > > Best, > > Markus > > > > > > On Mon, Jul 19, 2021 at 6:17 PM Patrick Neal <prnma...@gmail.com> wrote: > > Hi All, > > I apologize if this is too far off topic, but I got a recommendation to > ask here since this community is the most likely to know! > > I'm about to graduate from my undergrad chemistry program and I'm looking > for graduate schools. I started in traditional computational chemistry > research, but have really loved the cheminformatics/datascience aspects of > drug discovery. I'm hoping to ask the community if you all have any > recommendations for academic labs (ideally US based) with interesting > cheminformatics research? > > I'm specifically interested in fingerprinting methods (encoding > 3D/conformational information), similarity search/clustering compounds at > scale, and automation tools for QM calculations. But, I would be grateful > to hear of any labs you think are doing great cheminformatics work! > > All the best, > > Patrick > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > <https://urldefense.com/v3/__https:/lists.sourceforge.net/lists/listinfo/rdkit-discuss__;!!N3hqHg43uw!4SVjmv6awC5dpjXaiAsrD8S_Kgc6f05OMDIu3E4I8ByCJp6a5hbOTC2dI7McTn-7Z-2Krg$> > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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