Indeed - but you don’t use it only for the “numbers”, but also/more for the conformations, interactions and so on. I would love to have time to write a quick review/comment about “compchem is not just about numbers“.
12.10.2025 08:54 — 👍 1 🔁 0 💬 0 📌 0
Thanks to you!
20.01.2025 11:30 — 👍 0 🔁 0 💬 0 📌 0
Real-World Applications and Experiences of AI/ML Deployment for Drug Discovery
OR SEARCH CITATIONS
Proud to have contributed to this paper on AI/ML in drug discovery, showcasing "Real-World Applications and Experiences". Check it out!
pubs.acs.org/doi/full/10....
#compchem #researchneverstops #AI #drugdiscovery
13.01.2025 09:25 — 👍 20 🔁 3 💬 1 📌 0
The Society for Medicines Research is a UK based charity connecting scientists engaged in drug discovery. We organise scientific mentoring events.
https://smr.org.uk
The Living Journal of Computational Molecular Science (LiveCoMS) provides a peer-reviewed home for computational molecular science papers that can and should be updated. https://livecomsjournal.org/
🔶 L’account ufficiale di Internazionale.
🔶 Per abbonarsi: internazionale.it/abbonati
Assessora del Comune di Monza per LabMonza | SI/AVS | PhD student UniGe | Just another new wave girl
We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics, mathematical approaches, and machine learning methods applied to condensed phases.
"You cannot escape the responsibility of tomorrow by evading it today.” – Abraham Lincoln 🏴☠️ | Home of #TheBreakdown and LP Podcast
Dedicated to drug discovery, enthralled by science. 5 kids. She. SAB Recursion. Founder SyzOnc. Lab at Broad Institute. Opinions my own.
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.
Computational Drug Discovery and Design, SBDD, LBDD, ML
Molecular modeler @Sanofi, #AppliedMathematics, #MolecularSimulations and #DrugDesign. Tango dancer and world traveler.
CTO at Birch Biosciences - Bringing plastic into the circular economy: https://www.birchbiosciences.com
SynBio+AI/ML - engineering biology to do cool stuff. Synthetic biologist and a Seattle sports fan.
https://www.linkedin.com/in/mileswgander
🧬 Structural Bioinformatics | 💊 AI/ML for Drug Discovery | Geometric DL
🔬 @iocbprague.bsky.social, prev. PhD @cusbg.bsky.social @mff.unikarlova.cuni.cz
Science Director for AI at #RosalindFranklinInstitute creator of the #LegoBeamline and #DiamondTheGame. #SoftwareSustainabilityInstitute and #InstituteOfPhysics Fellow. #Dad he/him
ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
AI-Driven Drug Engineering: Building a discovery factory.
www.acellera.com
In a love-hate relationship with free energy calculations. In a love-love relationship with cats
CompChem @acellera.com
