Thomas Struble
@thomasstruble
Organic chemist turned to the dark side of machine learning and informatics.
ID: 2784765815
https://www.linkedin.com/in/tjstruble 26-09-2014 01:49:48
405 Tweet
512 Followers
213 Following
Alan Aspuru-Guzik
@a_aspuru_guzik
Prof. @UofT @VectorInst @CIFAR_News AI Chair & Fellow. C150 Chair. @acceleration_c @digital_discovery
⌬Nessa Carson
@supersciencegrl
Digital chemist | "Aggressively sciency'' | Buchwald-Hartwig = best reaction | Making lab science faster and better | She/her
Olexandr Isayev 🇺🇦🇺🇸
@olexandr
#CompChem Prof @CMU_Chem. Connecting chemical sciences with AI & #MachineLearning. #tarheels fan. Care:#design, #photography #Ukraine #cats🐈 Rants are mine
Shane W. Krska
@swkrska
Marshall Brennan
@organometallica
Editor in Chief of @Device_CP @ Cell Press. (Ex-)Founder of ChemRxiv. Tech enthusiast, professional geek & decent cook. Semi-pro dad. Tweets are my own.
Steven Silverman
@asymtmm
Andrew White 🐦⬛
@andrewwhite01
Head of Sci/cofounder @FutureHouseSF. Prof of chem eng @UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Adrian Roitberg 🏳️⚧️
@adrian_roitberg
Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
Matt Swain
@mattswain123
Cheminformatics and software development for drug discovery. Working at @DEShawResearch.
Chip Lesburg
@lesburg
Just here for a short while. Alter ego: @[email protected] Other alter ego on threads: _chippix
Patrick Walters
@wpwalters
cheminformatics, machine learning, drug discovery, opinions
Dōt
@conker4
Abandonate al cangrejo orgiastico, a la serpiente de moral ausente, al tiburon de la abyeccion individual, al monstruoso caracol de la estupidez...♫
Vladimir Chupakhin
@chupvl
Computational chemistry, Cheminformatics, Applied AI/ML for small molecule drug design and discovery.
Cyndi He
@cyndihe
Associate Principal Scientist @ Merck. Houk group alumni. A sustainable minimalist.
Chemjobber
@chemjobber
1. A blog 2. Towards a quantitative understanding of the quality of the chemistry job market | #chemjobs: permanent industry/academia, #chempostdoc: postdocs
Jan Jensen (janhjensen.bsky.social)
@janhjensen
Computational chemist at the University of Copenhagen. PChem Editor-in-Chief @PeerJChemistry. #compchem
Robert Paton
@bobbypaton
Robert Paton | Fixman Ladanyi Professor @csu_chemistry | #compchem | linktr.ee/patonlab | @nsf_ccas | @bobbypaton.bsky.social
L.-C. Campeau Ph.D.
@drlcsquare
Head of Small Molecule Process R&D at Merck. Trying to change the world, 1 reaction at a time. Fellow of the Royal Society of Canada. Cohost @PharmToTablePod
Pushkar Ghanekar
@mepgg
Agency research lead. Molecule design @EliLillyandCo. Bundle of contradictions. Here to avoid doing the dishes. 🇮🇳/🇺🇸
Teodoro Laino
@teodorolaino
Research Scientist @IBMResearch | Community success at @ForRXN | Twitting on AI, Chemistry, Aviation, Science and Dogs | 🏳️🌈 | He/Him | Views are my own
dthedomin8tor
@dthomas207
Focused on elegant engineering solutions
Matteo Manica
@drugilsberg
Research Scientist at @IBMResearch | Interested in AI and machine learning applications to science | Views are my own
Lukas Friedrich
@friedo91
Data Scientist in Computational Chemistry at Merck Healthcare (Merck KGaA). Opinions are my own and not the views of my employer.
Dr. Matthew Katcher
@katmatcher
Medicinal chemist turned DEL informatician. Good food and beer. Opinions are mine. He/him/his. Same name on Post and @[email protected]
Rajat Maji
@rjmchem
Postdoc-@uclachem (Doyle gr) | @MSCAction Postdoc-@maxplanckpress (Ben List gr) | PhD-@TAMUChemistry (Wheeler gr) | Creator @VISTA_Chem | #casfutureleaders 2022
Fiona Marshall
@fionahmarshall
Drug hunter, molecular pharmacologist, neuroscientist. President, Biomedical Research @Novartis. Views are my own.
Yunchao (Lance) Liu (刘运超)
@yunchaolanceliu
CS PhD Candidate @VanderbiltU AI DrugDiscovery Geometric/Topological Deep Learning Generative Models Self-Supervised Learning Small Molecule/Protein
Jess Xu
@clueless_coder
MIT Chemistry/ChemE Harvard '17 ML for Chemistry Coding is hard. Let me complain about it.
Oliver Schilter
@oschilter
PhD Student @IBMResearch | Applying #AI and #MachineLearning to Chemical Engineering | Enthusiastic hiker and chef
Jen Heemstra
@jenheemstra
Professor and Chair of @WashUChem, proud member of @HeemstraLab. I'm a researcher, but I'm a #MentorFirst. Tweets mine.
Erik Reinertsen
@erikrtn
JCIM & JCTC Journals
@jcim_jctc
Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications
Rebecca Ruck
@ruck_chem
Chemist. Goalkeeper. Jersey Girl. #DiversityinChem champion #CrohnsStrong (she/her)
Luca Naef
@naefluca
Co-Founder & CTO, @vant_ai Forbes 30u30 but won't go to jail | prev. ETH Zurich Stanford McKinsey AI x Bio/Chem. vi/vim
Ruth Hook
@ruth_hook_
immunology & stem cell biology- tissue culture in startups and basic research 🇺🇸🇮🇪🇫🇮 citizen- reading, running, climbing, paleontology, folk harp etc
Philipp Seidl
@phseidl
Postdoc at the IML-JKU Linz. Prev. Intern at MSR Cambridge. Passionate about ML for DD, LLMs, and Zero-shot learning. Opinions are my own and evolving ;)
Marwin Segler
@marwinsegler
Dadx2, Machine Learning, {Org, Med, Comp} Chem, AI-assisted Scientific Discovery & Creativity, Music. @ELLISforEurope Scholar. @MSFTResearch AI for Science
Connor W. Coley
@cwcoley
Assistant Professor @MITChemE & @MITEECS | ChE, Chem, AI/ML, etc. for accelerating molecular synthesis and discovery | coley.mit.edu | he/him
Dani Schultz
@danithechemist
Zestful process chemist @Merck. @PharmToTablePod co-host with a WI accent. @MichiganChem alum. Fan of cycles - peptidic, photocatalytic & stationary. she|her
Kevin Greenman
@kevinpgreenman
🤖AI for Science 🌟☧ @CathInstTech Asst Prof 🎓@MITChemE Ph.D. '24 in @RGBLabMIT 💊💻 Ex: @MSFTResearch & @EliLillyandCo 🎓 @UMichChE '19
Marc Dämgen
@daemgenmarc
Scientist | computational chemistry & AI for drug design | molecular dynamics simulations
Maizie Lee
@maizie_lee
Ph.D. 2023-Davies lab at Emory University. Atlanta, Ga. Aspiring farmer. She/her
Soo Jung Lee
@lee_sj
Postdoctoral Scientist at Roche Diagnostics
Nicolai Ree
@reenicolai
Interested in Quantum Chemistry, Cheminformatics, and Machine Learning for Computational Retrosynthetic Planning and Chemical Space Exploration. #CompChem
Joseph J Gair
@josephjgair1
Assistant prof at Michigan State @MSUchem starting summer 2023. Big fan of catalyst-controlled selectivity. he/him
Leticia Madureira
@letciamariapeq1
PhD candidate and TA at @CmuScience. Computational Quantum Chemist. Julia/Rust developer in Scientific Computing tools. 🤓 💻🧪⚛️✝️🙋🏻♀️
Jeff Guo
@jeffguo__
PhD student @SchwallerGroup | Previously @MSFTResearch and @AstraZeneca | @mcgillu and @imperialcollege
Yunsie Chung
@yunsiec
Computational chemist & AI/ML for chemistry. Senior scientist at Merck. Ph.D from @MITChemE.
LIAC at EPFL
@schwallergroup
Laboratory of Artificial Chemical Intelligence at @EPFL | led by @pschwllr | AI-accelerated discovery and synthesis | part of @NCCR_Catalysis | team-run account
AI in the Life Sciences
@ailsci
An #openaccess @ElsevierConnect journal publishing practical applications and theoretical advances of Artificial Intelligence in the Life Sciences.
Sarah Gurev
@sarahgurev
PhD student at MIT EECS. Machine learning for meaningful problems in biology in Debora Marks’ lab.
Chas McGill
@_chasmcgill
Asst Prof in Chemical Engineering @VCU. Formerly postdoc @MITChemE. Machine learning and computational chemistry research. sites.google.com/vcu.edu/mcgill
Priyanka Raghavan
@rag_priyanka
ChemE PhD Candidate @MIT | @UCBerkeley CBE Alum | she/her Coley Research Group | coley.mit.edu ML + robotic automation for chemistry! 🧪
Franca
@franca_klg
Jose Raul Montero Bastidas
@joseraulmonter3
Spencer Scholz
@spenceroscholz
Medicinal chemist. Previously a postdoc in the @Toste_Group at @UCB_Chem and former Wisconsin Badger.
Stanna Dorn, PhD
@stanna_dorn
NIH K99/R00 MOSAIC scholar, Reisman lab Caltech | 2022 PhD Brown Lab IU | BS/BA Hope College | Organic chem 🧪 aspiring academic 👩🏻🔬 avid reader 📚 she/her
Kevin K. Yang 楊凱筌
@kevinkaichuang
Principal Researcher in BioML @MSFTResearch (@MSRNE). He/him/他. 🇹🇼
MolSSI
@molssi_nsf
A nexus for science, education & cooperation serving the global community of computational molecular scientists.
Timur Madzhidov
@tmadzhidov
Chemoinformatics, Quantum Chemistry, AI, Synthesis design, Reaction Informatics | He, him, his
Kjell Jorner
@kjelljorner
Assistant Professor of Digital Chemistry at @ETH_DCHAB. Leader of the @DCL_ETHZ. Making chemistry more sustainable within @NCCR_Catalysis. Views my own.
Philippe Schwaller (he/him)
@pschwllr
Tenure-Track Assistant Professor of Digital Chemistry at @EPFL with @SchwallerGroup | @NCCR_Catalysis | prev @IBMResearch @forRXN | ML/AI-accelerated Chemistry
Marion Emmert (she/her)
@emmertlab
catalysis/physical organic/HTE chemist @ #merckchemistry TECh group, cat & arts lover, former professor @[email protected]
Tuan Le
@tuanle618
PhD student interested in graph representation learning on molecular structures.
Tejas K. Shah
@t_k_shah
👨🏽🔬 @Corteva 🌱| @RutgersU & @UCLA Alum | Jersey-born & bred | Fan of HTE cocktails, robots, & data🍸👨🏾💻 | opinions are my own
Francesca Grisoni
@fra_grisoni
Associate Prof. #AI for drug discovery | Leading @molecularML at @TUeindhoven & @ICMStue | @ELLISforEurope Scholar | Previously @ETH & @unimib | she/her 🏳️🌈