Congratulations on the paper! Thank you for the tutorial.
05.03.2025 13:25 — 👍 0 🔁 0 💬 0 📌 0
Beautiful code! Work like a charm. I was struggling with enzyme+Metal parametization for years. Thank you so much!
31.01.2025 00:16 — 👍 1 🔁 0 💬 1 📌 0
Can anyone teach me anything? Like QM/MM MD or AI in drug design? Or anything interesting in computational biology. I am kind of lost in my PhD.
05.01.2025 18:01 — 👍 1 🔁 0 💬 0 📌 0
🧪⚡️☀️⏰️ Photochemistry and chemical dynamics. Chemist at University of Valencia #Photochemistry #ExcitedStates #MolecularDynamics
Advanced molecule editor and visualizer
Currently working towards Avogadro2
https://two.avogadro.cc/
https://discuss.avogadro.cc/
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.
Computational Drug Discovery and Design, SBDD, LBDD, ML
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
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
Computational chemist, doing CADD @ UCI's Center for Neurotherapeutics. Former chemical engineer turned drug hunter. Buffalonian at heart! Go Bills!!! 🏈
💊🧠💻🧬🧪
#తెలుగోడు
Disclaimer: Views expressed are my own, not those of my employer or affiliates.
Cheminformatics • Research IT • Data Science - All opinions are strictly my own !
Assistant Professor of Physical Chemistry. I blow up molecules with lasers in the vain hope that I might one day learn about their structure before they blew up. Washed-up MTG dream chaser. He/Him
www.nurd.org.uk
Biophysicist｜Damon Runyon QB & NCI Early Stage K99/R00 Fellow at MSKCC w/ @jchodera.bsky.social | @foldingathome.org | PhD with @drgregbowman.bsky.social | Variant Effects, Protein dynamics, Dogs, Games 🇮🇳🇸🇬🇺🇸
My website: https://sukritsingh.github.io
#compchem Research Scientist at Vita Nova Institute- Work interests mostly related to the simulation of biomolecular systems - Lead developer of the Making It Rain, Cloud-Bind and ParametrizANI projects.
https://pablo-arantes.github.io/
