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@geem-lab

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@Nukesor
Arne Christian Beer Nukesor
Systems architect and Infra guy. Open-source, commandline and automation enthusiast. Available for contracting.

Hamburg, Germany

@shanecelis
Shane Celis shanecelis
I'm an evolutionary robotics researcher turned gamedev, making fun virtual robot toys that hint at artificial evolution.

Seawisp Hunter, LLC Burlington, VT

@grimme-lab
Grimme lab grimme-lab
Quantum chemistry software - Made in Bonn.

University of Bonn

@AnnaKelmanson
Anna Kelmanson AnnaKelmanson
Computational chemist

Valence Labs Montreal, Canada

@2AUK
Abdullah Ahmad 2AUK
Theoretical Chemistry PhD Student interested in molecular liquids and solvation properties Email: abdullah.ahmad@strath.ac.uk

University of Strathclyde Glasgow, Scotland

@duartegroup
duartegroup duartegroup

University of Oxford

@HigherOrderCO
HigherOrderCO HigherOrderCO
we are getting to the very core of what makes computers capable of reasoning.
@VictorTaelin
Victor Taelin VictorTaelin
Functional-programming enthusiast, author of Kind and HVM.

Higher Order Company Rio de Janeiro, Brazil

@aiqm
AIQM aiqm
Open Consortium for AI in Quantum Chemistry
@jonhoo
Jon Gjengset jonhoo
Rust educational streamer. At @helsing-ai. Previously at AWS. A fan of making things secure, fast, scalable, and well-documented.

@helsing-ai Oslo, Norway

@NWChemEx
NWChemEx Community NWChemEx
Dedicated to developing high-performance, modular, scientific software by leveraging NWChemEx's infrastructure.

United States of America

@chrinide
Chrinide chrinide
chrinide@gmail.com
@mrnugget
Thorsten Ball mrnugget
Author of interpreterbook.com and compilerbook.com. I like to program where the rubber hits the road — wherever that may be.

@sourcegraph Bavaria, Germany

@AC-BO-Hackathon
AC BO Hackathon AC-BO-Hackathon
Organization for orchestrating the Bayesian Optimization Hackathon for Chemistry and Materials sponsored by the Acceleration Consortium and Merck KGaA.

Canada

@nrnrnr
Norman Ramsey nrnrnr
Happy hacker in ML, Lua, Haskell, C, others.

Tufts University Malden, Mass, USA

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

Irvine, CA

@pamellaccar
Pamella Carneiro pamellaccar
PhD candidate in physical-chemistry at State University of Campinas (UNICAMP). My interests are Theoretical Chemistry and Molecular Dynamics of complex systems.

University of Campinas (UNICAMP). Campinas, SP

@pprcht
Philipp Pracht pprcht
Theoretical chemist, junior research group leader at Heidelberg University. Developing applications for efficient computational chemistry.

Heidelberg, Germany

@ml-evs
Matthew Evans ml-evs
Computational matsci (@modl-uclouvain @Matgenix @Materials-Consortia) + full-stack materials research data (@the-grey-group @datalab-org @datalab-industries)

@modl-uclouvain / @matgenix / @datalab-industries Brussels, BE / Norfolk, UK

@jla-gardner
John Gardner jla-gardner
DPhil Student using Machine Learning to perform accurate, atomistic simulations of molecules and materials.

University of Oxford

@charliermarsh
Charlie Marsh charliermarsh
Building @astral-sh: high-performance developer tools for Python, starting with uv and Ruff.

@astral-sh Brooklyn, NY

@mitsuhiko
Armin Ronacher mitsuhiko
Software developer and Open Source nut. Creator of the Flask framework. Worked on @getsentry and now exploring. Other things of interest: @pallets and @rust-lan

Sentry Austria

@mattwparas
Matthew Paras mattwparas
Interested in programming language development, compilers, contracts, and all things Rust and Racket

San Jose, California | Chicago, Illinois

@andrewtarzia
Andrew Tarzia andrewtarzia
Computational chemist
@BurntSushi
Andrew Gallant BurntSushi
I love to code.

@astral-sh Marlborough, MA

@Global-Chem
Global-Chem Global-Chem
A General Public Dictionary of Common Chemical Names to their Molecular Definition

United States of America

@certik
Ondřej Čertík certik
The original author of the @sympy and @symengine libraries and the @lfortran and LPython (@lcompilers) compilers. Co-founder of the @fortran-lang organization

Microsoft Los Alamos, NM

@berquist
Eric Berquist berquist
full-stack quantum chemist

Sandia National Laboratories Boston, MA

@kjelljorner
Kjell Jorner kjelljorner
Assistant Professor of Digital Chemistry at ETH Zürich. Coding mainly in Python and Fortran.

Zürich, Switzerland

@janosh
Janosh Riebesell janosh
Working on foundational ML force fields for materials science

Radical AI New York

@jacksund
Jack Sundberg jacksund
Earned my PhD in material informatics at UNC Chapel Hill in 2022, and I'm now a cheminformatics engineer at @corteva

Corteva Agriscience Indianapolis, IN

@sp8rks
Taylor Sparks sp8rks
👨🏻‍🏫 Professor of Materials Science & Engineering at the University of Utah 📖 Editor in Chief of IMMI 🎙️co-host of Materialism podcast
@ghutchis
Geoff Hutchison ghutchis
Creator and developer of @Avogadro @openbabel and @PittQuantumRepository

University of Pittsburgh, Department of Chemistry Pittsburgh, PA, USA

@geem-lab
Molecular Electronic Structure Group geem-lab
⚛️📈 Molecular Electronic Structure Group

Florianópolis, Brazil

@timholy
Tim Holy timholy
Neuroscientist and developer of the Julia language and its packages, including many developer tools and those of the @JuliaImages organization

Washington University in St. Louis St. Louis, Missouri, USA

@philipturner
Philip Turner philipturner
Molecular Nanotechnology Researcher
@kylebeggs
Kyle Beggs kylebeggs
Scientific Software Developer / Cardiac Researcher

JuliaHub North Carolina, United States

@shyuep
Shyue Ping Ong shyuep
Professor working at the intersection of Materials Science, Data Science and Artificial Intelligence

Materials Virtual Lab La Jolla, CA

@DaniilBoiko
Daniil Boiko DaniilBoiko
ML researcher // ex: ML Engineer at VK, Student at Lomonosov MSU

San Francisco, CA

@ilyes319
Ilyes Batatia ilyes319

University of Cambridge

@gorges97
Johannes Gorges gorges97
Theoretical chemist, PhD student, developing Quantum Chemical software for computing Mass Spectrometry. Located in Bonn. Working for the Grimme-Lab.

@grimme-lab Bonn, Germany

@cplett
Christoph Plett cplett
Theoretical chemist. Developing general workflows and solvation methods in Fortran and sporadically in Python.

@faccts Cologne, Germany

@susilehtola
Susi Lehtola susilehtola
Theoretical physics PhD working in computational / quantum chemistry.

University of Helsinki Helsinki, Finland

@chemprop
chemprop chemprop
Home of the official chemprop project

MIT

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