Gianni De Fabritiis
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
@machine.learning.bio
🏳️🌈 NVIDIA & Duke. Was Allianz, VantAI, TUM. BioCS+ML dude. Lab page: https://machine.learning.bio GScholar: https://scholar.google.com/citations?user=4q0fNGAAAAAJ
@vitalik.ca
@dkoes.compstruct.org
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/
@justinsmith.bsky.social
AI for chemistry and materials @ NVIDIA. Views and opinions expressed are my own.
@jan-peters.bsky.social
#RobotLearning Professor (#MachineLearning #Robotics) at @ias-tudarmstadt.bsky.social of @tuda.bsky.social @dfki.bsky.social @hessianai.bsky.social
@soumithchintala.bsky.social
Cofounded and lead PyTorch at Meta. Also dabble in robotics at NYU. AI is delicious when it is accessible and open-source. http://soumith.ch
@aspuru.bsky.social
Professor of Chemistry and Computer Science University of Toronto Faculty member, Vector Institute Director, Acceleration Consortium My views expressed here are personal and are not those of my employers.
@omsf.io
the Open Molecular Software Foundation is dedicated to the creation and implementation of the latest and greatest open comp.chem software.
@guillemsimeon.bsky.social
(He/him) Physicist. Machine learning and atoms @ Microsoft Quantum. 🏳️🌈
@chhdellago.bsky.social
Physicist, professor @univie.ac.at, director of @esivienna.bsky.social, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
@pschwllr.bsky.social
Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
@janhjensen.bsky.social
Computational chemist at the University of Copenhagen. Editor-in-Chief PeerJ Physical Chemistry. #compchem
@jchodera.bsky.social
Achira | http://achira.ai Research laboratory | http://choderalab.org Antiviral drug discovery for pandemics | http://asapdiscovery.org OpenADMET | http://openadmet.org Employer-mandated disclaimer: http://choderalab.org/disclaimer Pronouns: he/him
@openmm.org
A high-performance toolkit for molecular simulation. Visit us at https://openmm.org/ and https://github.com/openmm.
@giuliapalermo.bsky.social
https://palermolab.com Giulia Palermo Lab at the University of California, Riverside. Biophysicist passionate about Science & Art! In love with Nucleic Acids and Computational Science!
@daninthenet.bsky.social
Senior Drug Designer | #AI Computational Medicinal Chemist | #medchem + #compchem | Also into #pottery and #oilpainting
@jeffdean.bsky.social
Google Chief Scientist, Gemini Lead. Opinions stated here are my own, not those of Google. Gemini, TensorFlow, MapReduce, Bigtable, Spanner, ML things, ...
@yann-lecun.bsky.social
Professor a NYU; Chief AI Scientist at Meta. Researcher in AI, Machine Learning, Robotics, etc. ACM Turing Award Laureate. http://yann.lecun.com
@rocovino.bsky.social
Professor of Computational Life Science at Goethe University Frankfurt. Computer simulations of biomolecular systems, statistical modeling, and machine learning.
@smnlssn.bsky.social
Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
@morganthomas.bsky.social
Cheminformatics | Machine learning | Generative AI Postdoc Computational Sciences, UPF, Barcelona
@rbhar90.bsky.social
Founder and CEO of Deep Forest Sciences. Lead Developer of DeepChem. AI for Science Researcher.
@inequivariant.bsky.social
AI Research Scientist @ Intel Labs working on AI4Science. Previously postdoc at MIT Chemistry and Smithsonian Astrophysical Observatory. Opinions are my own 😽
@marcodevivo.bsky.social
Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director http://www.cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!
@timothyduignan.bsky.social
Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
@adrianmulholla1.bsky.social
Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
@vmoens.bsky.social
Research Engineer - PyTorch core - Meta@London - Open-source/open science advocate Maintainer of torchrl / tensordict / leanrl Former MD - Neuroscience PhD https://github.com/vmoens
@tbereau.bsky.social
Interested in biomolecular simulations and machine learning of soft matter and biomolecules. Prof at Heidelberg University
@gervasiolab.bsky.social
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, ...)
@philschmid.bsky.social
Tech Lead and LLMs at @huggingface 👨🏻💻 🤗 AWS ML Hero 🦸🏻 | Cloud & ML enthusiast | 📍Nuremberg | 🇩🇪 https://philschmid.de
@cyberplasm.bsky.social
Scientist and engineer. Interested in understanding complex biological systems. Still very interested in the naked mole-rat and ion channels. Recently ex academic. Working in a synthetic biology start up. Loves thermodynamics.
@alexmackerell.bsky.social
Computational chemistry and biophysics. Empirical force fields, CADD, RNA, carbohydrates, and methods developments including SILCS (site identification by ligand competitive saturation, See SilcsBio LLC) and enhanced-sampling GCMC. And I surf....
@andreasbender.bsky.social
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
@xuhuihuangchem.bsky.social
Hirschfelder Chair, Professor of Chemistry, University of Wisconsin-Madison, Director, Theoretical Chemistry Institute, Theoretical chemistry and Biophysics, previously at HKUST, https://huang.chem.wisc.edu/