Our heart is in Amsterdam, our team is global. At SCM, passionate scientists develop AMS, a powerful suite for computational chemistry & materials science. From spectroscopy to chemical processes, AMS covers quantum mechanics to fluid thermodynamics.
ML-ready datasets and benchmarks for drug discovery.
https://polarishub.io
Co-Founder & Product Lead at DeepMirror | Empowering Scientists with Transformative Products | PhD in Physics & Biology
News editor @ChemistryWorld
Senior science correspondent for Chemistry World.
Business editor at Chemistry World magazine
Comment and careers editor for Chemistry World. Professional words person, very amateur drawing person
Newsletter and research editor @Chemistry World
Editor @chemistryworld.bsky.social
*On maternity leave*
Award-winning journalist / Science Correspondent @ChemistryWorld / DM or robinsonj@rsc.org
Freelance Science Journalist 🐢 🥼 BSc/MSc from McGill 🧬 Vegetarian 🐈 "eh-duh" not "ah-duh", Canuck, she/her 🏳️🌈 Words at Chemistry World, C&EN, Skeptical Inquirer, McGill OSS, etc
Science communicator & author (Catching Stardust; Fire & Ice). Science & Technology Editor at JMP Statistical Software.
Philosophy of Chemistry - Philosophy of Science I PI of PExAI project I MarieSkłodowska Curie postdoctoral fellow #CReaCaL I Writer & Co-editor Jargonium.com I Writer ChemistryWorld I vanessa-seifert.com
Part time news junkie, full time computational scientist. Interested in how molecular simulations, AI and everything in between drives drug discovery.
Head of Sci/cofounder at futurehouse.org. Prof of chem eng at UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Postdoctoral Senior Scientist working at Johannes Kepler University Linz (Austria)
Some other profiles:
https://scholar.google.com/citations?user=3-Iw0tgAAAAJ&hl=de
https://at.linkedin.com/in/andreas-mayr-48479664
Asst. Professor of Physics, Chemistry, Mathematics, Neural Science at NYU | Simons Foundation Faculty Fellow | Open Science http://colabfit.org
martinianilab.org
Computational protein research group of Prof Ben Corry.
We love molecular dynamics and all kinds of membrane proteins including ion channels, transporters and immune receptors
~Posts by group members
Doctoral Researcher in the Digital Chemistry Laboratory at ETH Zurich | ESOP 2021 Scholar | MSc Chemistry ETH Zurich | Accelerated catalyst discovery with AI
Father | Computational Chemistry Expert @ The Francis Crick Institute | Harnesser
Opinions/Views are my own.
Head of #MachineLearning for #Materials Design | @hzdr.bsky.social
#physics #materialsscience #compchem #ml4science #AI #ml | https://sites.google.com/view/mlmd/
Cientista, química computacional, divulgação científica - https://gec.proec.ufabc.edu.br
Scientist in Brazil. Computational chemistry. Science communication
Drug discovery fellow @ D. E. Shaw Research focusing on cancer treatments 🧫 PhD from Uni of Cambridge working on inhibitors of neurodegenerative disease 🧠
Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
Theoretical Chemist. Bass Player. Senior Scientist at Pending AI
organising drug discovery data @ChEMBL, editor @jcheminf, loves sciene, yoga, writing, running, nature. mother of three. she/her
Work at drughunter.com - Drug Discovery, Data Science, Cheminformatics, Computational Medicinal Chemistry, Drug Repositioning, Structural Bioinformatics, CADD, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
Applied Research Manager, Bio-Foundation Models at @NVIDIA. Biophysics and machine learning. Opinions are my own. She/her.
https://michellelynngill.com
Chemist - exploring the world, now with a team.
🇪🇸
Chemist • Professor at University of Vienna • Theoretical chemistry, quantum chemistry, excited-state dynamics •
Home of SHARC 🦈
Senior Editor of ACS Central Science •
Board of Directors, Cluster of Excellence MECS ☀️
She/her/wife/Mom of 2
Computational biochemist (he/him), PI of the http://vanderkampgroup.com. Likes #enzymes & #compchem, #diversity #inclusion
Prof @ U. Toronto - PI @ SGC - CACHE challenges - Computational chemistry- Structural bioinformatics - Biophysics
Ab initio materials simulations at Duke University. Associate professor, Duke MEMS & Chemistry. https://aims.pratt.duke.edu/ . Opinions my own. Unlike the shirt on the right side of the profile image, which is not my own. The number on the shirt is 10.
Researcher and Software Engineer (Theoretical Chemistry, #CompChem, #ChemSky).
Currently: @microsoft.com Quantum 🇩🇰. Formerly: Post-Doc @ethzurich.bsky.social 🇨🇭, PhD @uni-muenster.de 🇩🇪.
Prof. of Computational Chemistry
Heisenberg-Prof. (DFG)
Interdisciplinary Center for Scientific Computing
Heidelberg University
agamirjalayer.iwr.uni-Heidelberg.de
samirjalayer.de
Theoretical and Computational Chemistry, Professor @FU_Berlin
web @ https://argmin.xyz
interests: machine learning, ai4science, algorithms, coding
member of technical staff @ https://cusp.ai
past @ MSR, DeepMind, MPI-IS
home @ Heimbach (Gilserberg), Berlin, Europe
born @ 353 ppm
block toxicity
he/him
Seasoned drug designer. Former Big Pharma (AZ). Leading Cheminformatics & Data Science team in US biotech (Treeline). Based in Göteborg, Sweden.
Doing quantum chemistry at @p_lodz_pl
Developing new methods for molecular simulation. Likes: Data vis; ML; drug discovery; semicolons.
Professor of Chemistry 👨🔬 FU Berlin
https://www.bcp.fu-berlin.de/en/chemie/chemie/forschung/OrgChem/christmann/index.html
Loves Tool & learns Python #ChemSky
Cheminformatics scientist living in #Aarhus #Denmark • Chair @UKQSAR • FRSA FRSB FRSC
https://scholar.google.com/citations?user=N0-4IgoAAAAJ
ICREA researcher working on the rational design of enzymes
Computer Simulations, Computational Intelligence, AI.
Research professor and interim CEO acellera.com.
Lab: www.compscience.org
Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
Computational Chemist
Charm Tx
Eats food, runs places, sits on sofa
Assistant Professor in Pharmacology at University of Bristol | GPCRs and ion channels | molecular modelling and simulation | drugs and lipids
Computational chemist at University of Oxford. MSCA fellow. Reaction mechanisms and catalysis
RS at at GDM, Science Team. Prev: Google Brain
applying math, computation, and machine learning to problems in chemical engineering | associate professor, Oregon State University | views mine
https://simonensemble.github.io/
Coordinating manager of @gdch.de divisions | Formerly @angewandtechemie.bsky.social | PhD in computational chemistry | DE&I advocate | musician | nerdy about tea, board games, synthesizers, and sci-fi | 🏳️🌈 she/her (views are my own)
Professor in Theoretical Chemistry at Chalmers University of Technology in 🇸🇪 interested in chemical bonding, material prediction, and astrobiology. www.rahmlab.com
Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
Quantum Chemistry at TU Darmstadt
Interested in unpaired electrons and their shenanigans, especially in transition metal complexes, catalysis, electron transfer, magnetism and photochemistry
Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
Research Engineer at Google DeepMind. AlphaFold, LLMs, Physics and Civic Tech. tfgg.me
Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
Senior Researcher @ Microsoft Research AI for Science
Bestuurslid @kwakzalverij.nl
Rabbit fan
Lost quantum chemist working in AI
Views are my own and do not necessarily reflect those of my employer!
⚪️ Structural Biochemist studying Membrane Transport in Metabolic and Neuronal Disorders @UCPH
⚪️ CryoEM❄️🔬 comp. biophysics 🖥️ biochemistry🧪
⚪️ PhD at Oxford in Structural Biology | Newstead Lab
⚪️ blues player 🎸 and dad music enthusiast
Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
Computational chemistry prof using phys org and machine learning to study aromatic molecules; mom; opera singer; music-lover; bookworm; cupcake connoisseur.
Group Leader at the Heidelberg University Biochemistry Center (BZH)
A computational physicist lost into a biochemistry Lab.
Find me on Mastodon:
@fabiolol@scientificnetwork.de
https://fabiololicato.com
Computational chemistry professor at @unistuttgart.bsky.social simulating reaction mechanisms, atom tunneling, astrochemistry, MachineLearning.
https://www.uni-stuttgart.de/theochem/kaestner
Professor for data science at HSD, @zdd-hsd.bsky.social
| ML fan & critic | current research mostly #datascience, #machinelearning, #cheminformatics #dataviz #nlp | ✨ #openscience #openaccess #rse | living data point 🚲
Virtual Chemist; Liúdramán; Personal Opinions
Applying machine learning to challenges in materials science.
Senior Researcher at Microsoft research AI for Science.
Views are my own
Education @ Schrödinger | Comp Med Chem School Co-Founder and Organizer (compmedchem.org)
Cheminformatics, ML, Drug Discovery
theoretical chemist and ml person 日本語おK خلض
Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de
Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net
Computational Organic Chemist
@University of Manchester #CompChem 💻 ⚛️ #Catalysis
🇪🇸 → 🇬🇧 | Mum of 3 boys 🤩
Cyclist 🚴♀️ | Yogi 🧘♀️ | Amateur cook
Rock music fan 🎸
🔗 https://trujilloresearchgroup.com/
(ML ∪ Bayesian optimization ∪ active learning) ∩ (drug discovery)
Researcher @valenceai.bsky.social
Details: austintripp.ca
Scientist in Aarhus DK | Dynamic organisation of biological membranes | Molecular Modelling
Assistant Prof. @UvA | amyloids, multiscale soft matter, computational peptide design, smart (adaptable) biomaterials, CompChem
Applying AI in drug discovery.
Working at Merck Healthcare KGaA (Germany)
The CCDC is a non-profit, charitable institution focused on the advancement & promotion of chemistry & crystallography.
Website: https://www.ccdc.cam.ac.uk/
Professor, Head of Digital and Data-Driven Chemistry, School of Chemistry and Chemical Engineering at @unisouthampton.bsky.social
Associate Editor at Chemical Science (@roysocchem.bsky.social)
structure prediction, materials discovery
PhD @ Cambridge in AI for Bio | Interested in generative modelling for drug discovery and science policy 🇬🇧
Website: cch1999.github.io
Blog: harrisbio.substack.com
Database: harrisbio.notion.site
#Chemsky #ML #mechanism #toomanyhashtags
Physical Organic Chemistry in the Negev
husband, father, son, brother, computational medicinal chemist, anti-infective drug discovery, perpetually curious, apprentice akidoka, school governor @MedChemica, @covid_moonshot, @asap_discovery
AI for Chemistry @ IBM Research. Opinions my own.
Assistant Professor of Digital Chemistry at @ethzurich.bsky.social. Making chemistry more sustainable within NCCR Catalysis. Views my own.
https://dcl.ethz.ch
https://www.valencekjell.com
I like chemistry, computers and drug discovery. Sometimes blogs about cheminformatics, ML and neural networks for chemistry at cheminformania.com. Open source fanatic and science preprinter.
Lecturer in Computational Pharmaceutical Chemistry at Queen Mary University of London | Visiting Scientist at the Max Planck Institute for Multidisciplinary Sciences | Computational Electrophysiology & Ion Channels
Poland->Denmark->USA->Germany->UK..?
AI/computational drug discovery. Consultant/scientific advisor. Former professor. Berkeley.
Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
We are the biomolecular and pharmaceutical modelling laboratory directed by Prof. Gervasio at Uni Geneva and UCL London. We develop enhanced sampling algorithms and perform simulations on systems bio-pharmaceutical interest (GPCRs, kinases, ...)
Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
Removing barriers to computational drug discovery one bit at a time. Associate Professor in Computational and Systems Biology at the University of Pittsburgh.
https://bits.csb.pitt.edu/
“Digital” supramolecular chemist 🧑🔬🧪 and wine semi-professional 🍷. Royal Society University Research Fellow and Asst. Prof. at Durham University.
Head of the Computational Molecular Design Laboratory at @EPFL-chem. Mom of two girls. #comp
Software Engineer at Google | Previously at IBMResearch, BenevolentAI and ETH Zurich | Views are my own.
