-
Argonne National Laboratory
- keceli.github.io
- @hpc4science
Peng Ding
Oaklight
PhD in Computer Science @uchicago / Foodie / Keen Eye for Design / 1st-Batch Undergraduate @ShanghaiTech
University of Chicago
Autonomous Scientific Agents
Autonomous-Scientific-Agents
ASA is an organization dedicated to advancing scientific productivity through the innovative use of AI Agents in an open and collaborative environment.
Rosen Research Group
Quantum-Accelerators
The Rosen Research Group in the Department of Chemical & Biological Engineering at Princeton University, led by @Andrew-S-Rosen.
United States of America
Laboratory of Computational Science and Modeling
lab-cosmo
EPFL - STI - Institute of Materials
scine
qcscine
Software for Chemical Interaction Networks, developed in the Reiher group at ETH Zurich
Zurich, Switzerland
Argonne Computational Science Division - CPS
argonne-cps
CPS focuses on solving the most challenging scientific problems through advanced modeling and simulation on the most capable computers
United States of America
AutoMech
Auto-Mech
Computes and databases high-accuracy quantum chemistry, thermochemistry, and kinetic data via automated workflows to improve chemical mechanism models.
NWChemEx Community
NWChemEx
Dedicated to developing high-performance, modular, scientific software by leveraging NWChemEx's infrastructure.
United States of America
Historical Source
historicalsource
A collection of historical source files, for education and perusal.
David Koes
dkoes
Removing barriers to computational drug discovery one bit at a time.
University of Pittsburgh Pittsburgh
Jimmy C. Kromann
charnley
Background in Quantum chemistry, cheminformatics, and machine learning. Working as a data scientist and software engineer in the pharmaceutical industry.
Pharma Industry Switzerland
NICK VANDEWIELE
nickvandewiele
#Data, #machinelearning, technology during the day. #Basketball, #starcraft geek at night.
Intact Financial Corporation Montreal, Canada
Richard West
rwest
Associate Professor of Chemical Engineering at Northeastern University, head of @comocheng research group, and a developer of @ReactionMechanismGenerator.
Northeastern University Boston, MA