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135 followers · 43 following

Achievements

Achievement: Galaxy Brainx2Achievement: Pair Extraordinairex2Achievement: YOLOAchievement: Starstruckx2Achievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Galaxy Brainx2Achievement: Pair Extraordinairex2Achievement: YOLOAchievement: Starstruckx2Achievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Highlights

  • Pro

Organizations

@MDAnalysis @IFMlab @chemosim-lab @GCCR

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@shug3502
Jonathan Harrison shug3502
AI for Drug Discovery @ Recursion (previously Exscientia). Formerly postdoc at University of Warwick, and PhD at University of Oxford.
@marinegor
Egor Marin marinegor
ML Scientist @ @ENPICOM, Core Dev @ @MDAnalysis python & data (science) stuff🦀🐻‍❄️

ENPICOM B.V. Groningen

@j-wags
Jeff Wagner j-wags
Technical Lead at Open Force Field

@openforcefield @omsf California

@ljwoods2
ljwoods2
@lunamorrow
Luna Morrow lunamorrow
HPC System Admin/Computational Scientist with Do IT Now | BAdvSci (Hons I) graduate from the University of Queensland

Do IT Now Group @doitnowgroup Brisbane

@UnixJunkie
François Bérenger UnixJunkie
Cheminformatician

Applied Cheminformatics International Cambridge, UK

@hadim
Hadrien Mary hadim
🔬CTO @beliver-bio | 🧬 Decoding Biology for Precision Oncology

BeLiver France

@MichelML
Michel Moreau MichelML
Building at @valence-labs .

@valence-labs Montreal, Canada

@valence-labs
Valence Labs valence-labs
@talagayev
Valerij Talagayev talagayev
Scientific Software Developer at @datagrok-ai & final year PhD student at @wolberlab

Free University of Berlin Berlin

@dkoes
David Koes dkoes
Removing barriers to computational drug discovery one bit at a time.

University of Pittsburgh Pittsburgh

@astral-sh
Astral astral-sh
High-performance developer tools for the Python ecosystem.

United States of America

@IUPAC-InChI
InChI Project IUPAC-InChI
Home of the InChI - the open chemical structure identifier, developed by IUPAC and the InChI Trust

UK

@baoilleach
Noel O'Boyle baoilleach
@rareylab
rareylab
We are an academic research group focusing on Cheminformatics, Structure-Based Molecular Design, and Structural Bioinformatics

University of Hamburg Hamburg, Germany

@yuxuanzhuang
Yuxuan Zhuang yuxuanzhuang
C-O.D-E

Stanford University California

@ljmartin
ljmartin

sydney

@lilyminium
Lily Wang lilyminium
🍜 She/her

@OpenForceField, @MDAnalysis Canberra, Australia

@tylerjereddy
Tyler Reddy tylerjereddy
Core developer of SciPy, NumPy, and MDAnalysis libraries. LANL owns my contributions from Jan. 30/ 2017 onward.

LANL Northern New Mexico

@RMeli
Rocco Meli RMeli
Research Software Engineer @eth-cscs | Core Developer @MDAnalysis | Editor @openjournals

@eth-cscs Lugano, Switzerland

@IAlibay
Irfan Alibay IAlibay
Science & Infrastructure Lead @ Open Molecular Software Foundation | MDAnalysis & OpenFE coredev image: @fiona-naughton

The Open Molecular Software Foundation United Kingdom

@richardjgowers
Richard Gowers richardjgowers

London

@ptosco
Paolo Tosco ptosco
@rdkit
RDKit rdkit
@MDAnalysis
MDAnalysis MDAnalysis
working with data in the computational molecular sciences

United States of America

@bp-kelley
Brian Kelley bp-kelley
@martinvoegele
Martin Vögele martinvoegele
Computational physicist, mostly working with molecular simulation and machine learning.

Schrödinger, Inc. New York, NY

@jbcoffin
Jean-Baptiste Coffin jbcoffin
@rasbt
Sebastian Raschka rasbt
AI Research Engineer working on LLMs.
@jaimergp
jaimergp
Core team at @conda-forge · Steering council at @conda · Maintainer of `conda`, `conda-libmamba-solver` and others

@quansight

@hmacdope
Hugo MacDermott-Opeskin hmacdope

OpenADMET / @omsf Memorial Sloan Kettering Cancer Center

@rgerkin
Richard C Gerkin rgerkin
Neuroinformaticist and Olfaction Scientist; Associate Research Professor, Arizona State University @scidash

Ozymandian Industries Phoenix, AZ

@kwcooper
Keiland kwcooper
Knowledge, like potential energy, is more useful when applied.

Orange Coast

@peter-ertl
peter-ertl
@sebfiorucci
Sébastien Fiorucci sebfiorucci
Associate Professor (Univ. Côte d'Azur, Fr.). Chemical senses (olfaction and taste), GPCR, molecular modeling, chemoinformatics

Université Côte d'Azur Nice

@Xiaojing-Cong
Xiaojing-Cong

Institut de Génomique Fonctionnelle Montpellier

@mcs07
Matt Swain mcs07
Developing software for drug discovery

@DEShawResearch New York, NY

@isayev
Olexandr Isayev isayev
Connecting artificial intelligence (AI) with chemical sciences.

Carnegie Mellon University Pittsburgh, PA

@greglandrum
Greg Landrum greglandrum
@diegoenry
DIEGO ENRY GOMES diegoenry
Biomedic in love with computational chemistry, drug discovery and hpc. Hobbies: curretly... playing with pandas and sea-born "animals".

Auburn University Auburn, AL

@iwatobipen
Taka iwatobipen
I'm Medicinal Chemist a/o Chemoinformatitian in mid. size pharmaceutical company in Japan. My hobby is programming, running and Volleyball.

Daiichi-Sankyo

@EBjerrum
Esben Jannik Bjerrum EBjerrum
https://www.cheminformania.com/about/esben-jannik-bjerrum/ https://www.linkedin.com/in/esbenbjerrum

AbbVie Sweden

@PatWalters
Patrick Walters PatWalters