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@SamCox822
Sam Cox SamCox822
working on machine learning & computational chemistry

Future House

@JoshRackers
Josh Rackers JoshRackers
@SylwiaNowakowska
Sylwia SylwiaNowakowska
A physicist with a Ph.D. in Nanoscience, an AI passionate. Focused on Deep Learning for healthcare.

Zurich, Switzerland

@iam-veeramalla
Abhishek Veeramalla iam-veeramalla
Keep learning, sharing and growing || Principal Software Engineer at Red Hat || Open Source Enthusiast

Red Hat Hyderabad, India

@rajarshi
Rajarshi Guha rajarshi

Boston, MA

@hutchisonlab
Hutchison Lab hutchisonlab
GitHub organization for the Hutchison Research group at the Department of Chemistry at University of Pittsburgh

Pittsburgh, PA

@JMorado
João Morado JMorado
Computational and Theoretical Chemist Research Software Engineer

University of Edinburgh United Kingdom

@joaomdmoura
João Moura joaomdmoura
Founder of crewAI / prev @clearbit (acc by @HubSpot)

@crewAIInc São Paulo, SP, Brazil

@molecularinformatics
Biogen Molecular Informatics molecularinformatics
An open-source library that provides access to cutting-edge research tools designed to tackle multiple aspects of computational drug discovery

Biogen Cambridge

@t7morgen
t7morgen
@ur-whitelab
White Laboratory ur-whitelab
@karpathy
Andrej karpathy
I like to train Deep Neural Nets on large datasets.

Stanford

@SeonghwanSeo
Seonghwan Seo SeonghwanSeo
I am a Ph.D. student in the Department of Chemistry, KAIST. My research area is AI-based drug discovery.

KAIST Seoul or Daejeon

@MinkaiXu
Minkai Xu MinkaiXu
Ph.D. Student @ Stanford CS. Generative AI, AI for Science

Stanford University California

@CBDD
CBDD
@freeenergylab
alanlpf freeenergylab

Suzhou, China

@IanAWatson
Ian Watson IanAWatson
Worked at Eli Lilly till 2017, then at Google till May 2021, now independent.

Independent Pittsburgh PA

@datamol-io
datamol.io datamol-io
molecular modeling made easy

The molecular space

@digital-chemistry-laboratory
Digital Chemistry Laboratory digital-chemistry-laboratory
The Digital Chemistry Laboratory at ETH Zurich

Switzerland

@xbresson
Xavier Bresson xbresson

Singapore

@SergeiVKalinin
Sergei V. Kalinin SergeiVKalinin
I like using machine learning to solve problem in physics, from discovering physical laws from microscopy data, making better materials, and atomic manipulation

University of Tennessee, Knoxville

@swiss-ai
swiss-ai
@aswinisuren
Aswini Surendran aswinisuren
Solutions Architect @aws
@zrqiao
Zhuoran Qiao zrqiao
A chemical physicist working with AI

Iambic Therapeutics San Diego

@AustinT
Austin Tripp AustinT
PhD student in Engineering at Cambridge.

Cambridge UK

@gcorso
Gabriele Corso gcorso
PhD student @ MIT • Research on Machine Learning and Geometric Representation Learning • Previously intern @ Twitter Research, D.E. Shaw and IBM

MIT

@anthropics
Anthropic anthropics
@ingridstevens
Ingrid Stevens ingridstevens
Data Science & AI

Germany

@eseckel
Elizabeth Seckel eseckel
Director of Strategic Research Development for Cardiovascular Medicine at Stanford University

Stanford University

@Accio
Jitao David Zhang Accio
A Computational Biologist in Drug Discovery

F. Hoffmann-La Roche AG, Switzerland Basel, Switzerland

@isayevlab
Isayev Lab @ Carnegie Mellon isayevlab

Pittsburgh, PA

@gregory-kyro
Gregory Kyro gregory-kyro
Chemistry PhD student at Yale

Yale New Haven, CT, USA

@PDB-REDO
PDB-REDO PDB-REDO
Tools for macromolecular structure optimisation and analysis
@duerrsimon
Simon Duerr duerrsimon
Computational Chemist and part-time web developer

@lcbc-epfl Lausanne

@fkaiserbio
Florian Kaiser fkaiserbio
Developing AI & big data analysis solutions.

Saxony, Germany

@PromtEngineer
PromptEngineer PromtEngineer
Building Cool Stuff!
@googlecolab
Google Colaboratory googlecolab
Colaboratory is a research tool for machine learning education and research. It’s a Jupyter notebook environment that requires no setup to use.

Seattle, WA

@lhatsk
lhatsk
@aqlaboratory
AQ Laboratory aqlaboratory

Columbia University

@leojklarner
Leo Klarner leojklarner
PhD Student in AI for Drug Discovery at the University of Oxford

University of Oxford

@stanislavfort
Stanislav Fort stanislavfort
PhD student at Stanford | ML, AI & Physics
@yhilpisch
Yves Hilpisch yhilpisch
CEO The Python Quants & The AI Machine | Adjunct Professor of Computational Finance | Python, AI, Finance & Algorithmic Trading

The Python Quants | The AI Machine Germany

@molecularmodelinglab
Molecular Modeling Lab molecularmodelinglab
@aiqm
AIQM aiqm
Open Consortium for AI in Quantum Chemistry
@OpenFreeEnergy
Open Free Energy OpenFreeEnergy
@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

@mseok
Moon seok hyun mseok
CADD Researcher

KAIST

@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

@pyDock
Structural bioinformatics for wine sciences (3DBIOwine) pyDock
The group has a clear multidisciplinary character, development and application of computational methods for the structural modeling of biomolecules of interest.

Instituto de Ciencias de la Vid y del Vino (Institute of Grapevine and Wine Sciences) (ICVV) Finca La Grajera Autovía del Camino de Santiago LO-20 Salida 13, 26007 Logroño

@cpayal
Payal Chatterjee cpayal
A computational chemist with a passion in utilizing the power of statistical mechanics and machine learning in drug design.

Boulder, Colorado