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Thomas Struble Profile
Thomas Struble

@thomasstruble

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Organic chemist turned to the dark side of machine learning and informatics.

Boston, MA
Joined September 2014
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@thomasstruble
Thomas Struble
11 months
Going to #ACSFall2024 and interested in prospective applications of machine learning in chemistry? Come by on Monday to the mile high ballroom to see a fanstistic lineup of leaders in the field including @chemchristensen, @reisman Brent Koscher, @teodorolaino , and @marwinsegler.
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@thomasstruble
Thomas Struble
2 years
RT @kangway: We have an awesome postdoc opportunity in my lab @PrescientDesign as part of @genentech Research and Early Development, co-adv….
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@thomasstruble
Thomas Struble
2 years
Amazing workshop, thanks @tiwarylab for all the coordination and getting a stellar lineup of speakers! Lots to be done in ML+Chemistry and the discussions were very enlightening.
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@thomasstruble
Thomas Struble
2 years
RT @gabepgomes: We @gpggrp will have an opening for an @NSF_CCAS postdoc soon. The ideal candidate must have experience and/or interest in….
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@thomasstruble
Thomas Struble
2 years
The main thing is lack of open data. That will hopefully happen over time as we require authors to publish their data. Other than that no company is going to give up their billions of dollars of data they have for free.
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@thomasstruble
Thomas Struble
2 years
Mostly agree. The comparison to other realms is not good though. Chemistry data is expensive which means we have to find intelligent ways to use the data not generate data that fits the algorithm. Principled data generation is important but won’t solve the problem.
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@thomasstruble
Thomas Struble
2 years
Awesome work Oliver!!.
@OSchilter
Oliver Schilter
2 years
Explore our latest paper on designing catalysts using deep generative models and computational data. Discover how an RNN-VAE can generate new catalyst candidates for the Suzuki coupling. @IBMResearch @SchwallerGroup @acvaucher @pschwllr @teodorolaino
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@thomasstruble
Thomas Struble
2 years
RT @mepgg: Hiring for a post-doctoral position in reaction informatics. In this role, you will develop new ways that allow novel chemical t….
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@thomasstruble
Thomas Struble
2 years
This is a really important question to have answered for yourself before applying and interviewing. I can’t tell you how many candidates I’ve screened that simply say I just want a job. While that is valid, the jobs usually go to someone that has a passion for the type of work.
@academic_exit
Academic Exit
2 years
PhDs working outside of academia: how did you know what type of job you wanted to apply for? . Inquiring minds (of PhDs still in academe) want to know.
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@thomasstruble
Thomas Struble
2 years
RT @JCIM_JCTC: Matcher: An Open-Source Application for Translating Large Structure/Property Data Sets into Insights for #DrugDesign #chemin….
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@thomasstruble
Thomas Struble
2 years
RT @NSF_CCAS: C-CAS wants to form partnerships with HBCU's, MSI's, and Tribal Colleges. We are looking to collaborate via the PREC program….
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@thomasstruble
Thomas Struble
2 years
RT @StockdillLab: I'm sad to share that my student, Dr. Larry Mendoza, was struck by a car last week and remains unconcious and in critical….
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gofundme.com
Dear Family & Friends, Larry Mendoza is a much-loved and cherished member of the Stockdi… Jennifer Stockdill needs your support for Support Larry's Family
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@thomasstruble
Thomas Struble
2 years
This looks awesome!.
@nathanbroon
Nathan Brown
2 years
This is quite a nice gentle intro to AI and DL that has been created for undergraduates in pharmacy and chemistry. You can run the code directly in Google Colab. #CompChem #Chemoinformatics #Cheminformatics. code: paper:
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@thomasstruble
Thomas Struble
2 years
RT @clbilodeau: Are you applying Generative AI to molecular discovery or other real world problems? Join us at ICML for the the Challenges….
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@thomasstruble
Thomas Struble
2 years
RT @cwcoley: Abstracts are due April 4th for the Fall ACS meeting! Consider submitting to our 5th symposium on "Machine Learning and AI for….
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acs.org
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@thomasstruble
Thomas Struble
2 years
Another hot take: I think they are useful but I use them as an opportunity to gain insight into the people they have had as mentors. Knowing a candidate has been successful despite their advisor not advocating for them is even more powerful than a very positive letter.
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@thomasstruble
Thomas Struble
2 years
RT @Ruck_chem: Looking for a talented Director to join our team of Data Rich Experimentation experts-chemists, engineers, data scientists &….
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@thomasstruble
Thomas Struble
2 years
RT @paulabartabajo_: The problem is that real-world ML services can only generate value once you plug them to *live data sources*. here i….
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@thomasstruble
Thomas Struble
2 years
Everyone feeling confused and upset right now, please use your whole community for support. Your feelings are valid and you do belong to our community of scientists. If anyone just needs to talk please reach out.
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@thomasstruble
Thomas Struble
2 years
Yes! Love the weekend closing of Mem!.
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