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74 followers · 165 following

Achievements

Achievement: Pair ExtraordinaireAchievement: Pull Sharkx3Achievement: StarstruckAchievement: YOLOAchievement: QuickdrawAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pair ExtraordinaireAchievement: Pull Sharkx3Achievement: StarstruckAchievement: YOLOAchievement: QuickdrawAchievement: Arctic Code Vault Contributor

Organizations

@choderalab @cbc-univie
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@martinvoegele
Martin Vögele martinvoegele
Computational physicist, mostly working with molecular simulation and machine learning.

Schrödinger, Inc. New York, NY

@mcwitt
Matt Wittmann mcwitt

Berkeley, CA USA

@saratk1
Sara Tkaczyk saratk1
PhD student at the University of Vienna
@giadefa
Gianni De Fabritiis giadefa
Icrea research professor at Universitat Pompeu Fabra. Head of Computational Science Laboratory,

University Pompeu Fabra; Acellera

@huawei-noah
HUAWEI Noah's Ark Lab huawei-noah
Working with and contributing to the open source community in data mining, artificial intelligence, and related fields.
@tmarkland
Tom Markland tmarkland
Associate Professor at Stanford University working on the development and application of theoretical methods to model condensed phase systems.

Stanford University

@JohannesKarwou
Johannes Karwounopoulos JohannesKarwou
Quantum Molecular Research Scientist former PhD student at University Vienna @cbc-univie

Exscientia Vienna, Austria

@Jussmith01
Justin Smith Jussmith01

Los Alamos National Laboratory Los Alamos, NM

@Mariewelt
Maria Korshunova Mariewelt
Ph.D. student at Carnegie Mellon University

Carnegie Mellon University Pittsburgh, PA

@stefdoerr
Stefan Doerr stefdoerr

Acellera

@PhilipVinc
Filippo Vicentini PhilipVinc
Professor in Quantum Physics and AI. Developing ML-based simulation tools to tackle Quantum Physics. Scientific Software Dev. I wish Python was more like Julia.

Ecole Polytechnique, Paris Paris

@cbc-univie
Institute of Computational Biological Chemistry cbc-univie

Austria

@rmcgibbo
Robert T. McGibbon rmcgibbo

D.E. Shaw Research New York

@raimis
Raimondas Galvelis raimis

AstraZeneca Barcelona, Spain

@mattwthompson
Matt Thompson mattwthompson
Senior Research Software Engineer @openforcefield @omsf, formerly @shirtsgroup at UC Boulder and Cummings Group at Vanderbilt @mosdef-hub

Open Molecular Software Foundation Iowa City, IA

@SimonBoothroyd
SimonBoothroyd
@davidlmobley
David L. Mobley davidlmobley

University of California, Irvine Irvine, CA

@Lnaden
Levi Naden Lnaden
Software Scientist at Molecular Software Sciences Institute Member of @MolSSI, Previous member of the @choderalab.

@MolSSI at Virginia Tech

@f3rmion
ehjc f3rmion
Physics and technology enthusiast. Ethereum Buidler.

Earth

@bdice
Bradley Dice bdice
Scientific software developer, working on @rapidsai cuDF. Python, C++, CUDA, algorithms & data. PhD in Physics & Scientific Computing from @glotzerlab.

@NVIDIA @rapidsai Kansas City, MO

@samplchallenges
The SAMPL Challenges samplchallenges
SAMPL runs a series of blind challenges for computational chemistry

Irvine, CA

@Leticia-maria
Letícia Maria Pequeno Madureira Leticia-maria
Computational Chemist. Developing good software for Quantum Algorithms in Julia. PhD student at Carnegie Mellon University.

@JuliaChemicalReactions, @HartreeFoca Pittsburgh, Pennsylvania, US

@chris9182
Christian Permann chris9182
@dwhswenson
David W.H. Swenson dwhswenson
Theoretical chemist. Lead developer of OpenPathSampling and Contact Map Explorer. Ecosystem Infrastructure Lead at OMSF.

Open Molecular Software Foundation Chicago

@rubbs14
Roberto rubbs14
I am a chemist specialized in chemoinformatics, ligand design and medicinal chemistry. Chemist, programmer, drug discoverer, story teller, bass player.

Janssen Pharmaceutica NV Antwerp, BE

@matteoferla
Matteo Ferla matteoferla
Computational biochemist in University of Oxford OPIG/XChem groups

University of Oxford Oxford, United Kingdom

@zasdfgbnm
Gao, Xiang zasdfgbnm
Deep learning frameworks @NVIDIA; PyTorch & nvFuser developer

NVIDIA Santa Clara, CA

@sangaline
Evan Sangaline sangaline

@Intoli United States

@mikemhenry
Mike Henry mikemhenry
Software Scientist, working at the intersection of teaching and scientific software development to create a more just world

@choderalab & @OpenFreeEnergy Phoenix, AZ

@chris-rands
Chris Rands chris-rands

Cambridge, UK

@andysim
Andy Simmonett andysim

QC Ware

@PatWalters
Patrick Walters PatWalters
@slochower
David Slochower slochower
@samirelanduk
Sam Ireland samirelanduk
Software developer and UCL PhD, specialising in Bioinformatics tools. Python/django, Javascript/react, GraphQL, TDD

Goodwright London, UK

@gmoneymiller
Scott T. Miller gmoneymiller
Visiting Scientist at the Non-Linear A.I. Lab of NC State University. Contact me at [email protected].

NCSU Raleigh, NC

@IanLee1521
Ian Lee IanLee1521
Computer Engineer @LLNL

@LLNL Livermore, CA

@dgoppenheimer
David G. Oppenheimer dgoppenheimer
@rusty1s
Matthias Fey rusty1s
Creator of PyG (PyTorch Geometric) - Founding Engineer @ Kumo.AI - PhD @ TU Dortmund University - Interested in Graph Representation Learning

Kumo.AI Dortmund, Germany

@mjschnie
Michael J. Schnieders mjschnie

The University of Iowa Iowa City, IA, 52245, United States

@peastman
Peter Eastman peastman
Software engineer at Stanford University creating tools for molecular simulation and deep learning.

Stanford University

@leeping
Lee-Ping Wang leeping
Associate Professor of Chemistry at UC Davis, specializing in theoretical chemistry.
@mattjj
Matthew Johnson mattjj
research scientist @ Google Brain

Google San Francisco

@lukasturcani
Lukas Turcani lukasturcani

London

@cforssen
Christian Forssén cforssen
Professor, Department of Physics

Chalmers University of Technology Sweden

@cverna
Clement Verna cverna
Hacking on @fedora-infra and @coreos Python and Rust enthusiast

Red Hat

@cieplinski-tobiasz
Tobiasz Ciepliński cieplinski-tobiasz

Kraków

@Olllom
Andreas Kraemer Olllom

NYC

@JBorrow
Josh Borrow JBorrow

University of Pennsylvania Philadelphia, PA

@IgnacioJPickering
Ignacio Pickering IgnacioJPickering

Gainesville, FL

@guiwitz
Guillaume Witz guiwitz
Helping Machines Learn about bioimages