No but I saw the article and just moved here. I don’t want to have to move again!
02.11.2025 02:08 — 👍 1 🔁 0 💬 1 📌 0
Please repost for visibility! New to blue sky and want to make connections.
02.11.2025 02:03 — 👍 0 🔁 0 💬 0 📌 0
We’ll be at AIChE this week. Drop me a message if you want to talk about it. Also catch my student, Z Alam’s talk on the model on Thursday
02.11.2025 02:00 — 👍 0 🔁 0 💬 1 📌 0
Check out our new model! EquiNet lets you predict vapor-liquid-equilibrium for new binary systems.
The model predicts both activity coefficients and vapor pressures for the system. You can make VLE envelope predictions with just the SMILES and temperature or pressure.
#compchem
02.11.2025 01:58 — 👍 4 🔁 0 💬 1 📌 0
Hi Bluesky. I’m belatedly migrating over here looking for the old comp chem community from twitter.
02.11.2025 01:26 — 👍 4 🔁 0 💬 0 📌 0
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
Assistant Professor in Biochemistry & Molecular Pharmacology, Baylor College of Medicine. CryoEM, GPCRs, Membrane Proteins, Comp Chem, SBDD.
Expert in biomolecular simulation and biophysics.
http://membrane.urmc.rochester.edu/
http://grossfieldlab.github.io/loos/
https://orcid.org/0000-0002-5877-2789
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
Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
PhD student at the University of Oxford
💻 Computational chemistry & ML for drug discovery 💊
Previously Columbia & Heidelberg
Dedicated to drug discovery, enthralled by science. 5 kids. She. SAB Recursion. Founder SyzOnc. Lab at Broad Institute. Opinions my own.
Medicinal chemist / chemical biologist, author of “In the Pipeline” at http://science.org/blogs/pipeline. derekb.lowe@gmail.com and on Signal at Dblowe.18
All opinions are mine; I don’t speak for my employer in any way.
https://www.rdkit.org
https://github.com/rdkit/rdkit
computation biology, drug discovery, computer vision, microscopy, statistics, machine learning, all happening at https://carpenter-singh-lab.broadinstitute.org/
Computational biologist using omics data (imaging, gene expression) to investigate the impacts of environmental contaminants on biological systems
Group Leader @EMBL-EBI (www.ewaldlab.org)
Working on #SelfDrivingLabs at the Acceleration Consortium @ UofT. Former employee at dsm-firmenich working on self-driving labs for food applications. Interested in systems biology, microbial communities, ML/AI, software development, product management.
