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@deepchem
deepchem
@rmcgibbo
Robert T. McGibbon rmcgibbo

D.E. Shaw Research New York

@Tinystormjojo
Tinystormjojo
@MDIL-SNU
MDIL-SNU
@sparks-baird
Sparks/Baird Materials Informatics sparks-baird
Sterling Baird and Taylor Sparks Materials Informatics Projects

United States of America

@marrink-lab
marrink-lab
@OE-FET
OE FET OE-FET

University of Cambridge

@CCQC
Center for Computational Quantum Chemistry CCQC
University of Georgia

Athens, GA

@Yueming-Yin
Yueming Yin Yueming-Yin
I'm currently a research fellow at Nanyang Technological University.

Nanyang Technological University Singapore

@codeshareabc
codeshareabc
@prakruti-joshi
Prakruti Joshi prakruti-joshi
Masters in Data Science, Rutgers University

United States

@shijiale0609
Jiale Shi shijiale0609
Postdoc@MIT, PhD@University of Notre Dame. BS@PKU. Focus on AI for Science and LLM.

MIT Cambridge, MA

@deepmodeling
DeepModeling deepmodeling
Define the future of scientific computing together
@njzjz
Jinzhe Zeng njzjz
PhD candidate in Chemistry & Graduate Assistant, Rutgers University

Rutgers University Nanjing, China

@deepmodeling-activity
DeepModeling-Activity deepmodeling-activity
Store the activity of @deepmodeling
@OleHolmNielsen
Ole Holm Nielsen OleHolmNielsen
Senior HPC Officer, DTU Physics

Technical University of Denmark Kgs. Lyngby, Denmark

@janosh
Janosh Riebesell janosh
Integrating ML foundation models for chemistry with robotic labs

Radical AI New York

@CifLord
Richard Tran CifLord
@Tinaatucsd
Hui Zheng Tinaatucsd
Postdoc at Berkeley Lab.

Berkeley

@liyihang1024
Yihang LI liyihang1024
For you, a thousand times over!

Shanghai University Shanghai

@lrgresearch
LRG lrgresearch
Gazi University Low-Dimensional Materials and Systems Research Laboratory

Gazi University, Ankara, Turkey

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

Zürich, Switzerland

@reymond-group
GDB / Reymond Research Group reymond-group
Jean-Louis Reymond Research Group at the University of Bern

Bern - Switzerland

@torchmd
TorchMD torchmd
TorchMD: A deep learning framework for molecular simulations
@atomistic-machine-learning
atomistic-machine-learning
@mvanvleet
Mary Van Vleet mvanvleet
Assistant Professor, Theoretical Chemistry, Spelman College. PhD, University of Wisconsin-Madison

Spelman College Atlanta, GA

@askolik
Andrea Skolik askolik
@KacperKubara
Kacper Kubara KacperKubara
MSc in Artificial Intelligence @ University of Amsterdam | Speech Recognition | Graph Neural Networks
@alshedivat
Maruan alshedivat

New York, NY

@althonos
Martin Larralde althonos
PhD candidate in Bioinformatics, passionate about programming, SIMD-enthusiast, Pythonista, Rustacean. I write poems, and sometimes they are executable.

LUMC (ex EMBL) @zellerlab The Hague, Netherlands

@molecule-one
Molecule One molecule-one
@MinkaiXu
Minkai Xu MinkaiXu
Ph.D. Student @ Stanford CS. Generative AI, AI for Science

Stanford University California

@tiwarylab
Tiwary Lab - Artificial Chemical Intelligence tiwarylab

University of Maryland, College Park

@LokeyLab
Lokey Lab LokeyLab
Scott Lokey Research Group

University of California Santa Cruz

@materials-theory
Materials Theory Group materials-theory
Materials Theory Group at Yonsei University

Seoul, Republic of Korea

@GFNOrg
GFNOrg
@MJ10
Moksh Jain MJ10
@biter777
biter777
@HumanOsv
Osvaldo Yañez Osses HumanOsv
I have great interest in global optimization techniques for molecules, solids, and clusters are numerous and can be algorithmically elegant.

Chile

@RSPt-tutorials
Tutorials for the FP-LMTO software RSPt RSPt-tutorials

Santo Stefano di Sessanio, Italy, 2018

@CUANTAM
CUantamLab CUANTAM
@tjs23
Tim Stevens tjs23

MRC Laboratory of Molecular Biology Cambridge

@molecularsets
MOSES molecularsets
A Benchmarking Platform for Molecular Generation Models
@shehzaidi
Sheheryar Zaidi shehzaidi
Research in ML
@somdattagoswami
Somdatta Goswami somdattagoswami
Assistant Professor of Civil and Systems Engineering, Johns Hopkins University

Johns Hopkins University Baltimore, USA

@ClarkResearchGroup
ClarkResearchGroup
@quek-group
quek-group
@learningmatter-mit
Learning Matter @ MIT learningmatter-mit
Rafael Gomez-Bombarelli Group @ MIT
@Shenton-supplemental
Shenton-supplemental
@liming-liu
Liming Liu liming-liu
拿愚蠢的自己毫无办法