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Gregor N. C. Simm — most-cited papers & profile · AI for Science
← authors
·
overview
Gregor N. C. Simm
8
papers ·
470
citations ·
14
h-index
University of Cambridge · Microsoft Research (United Kingdom)
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Most-cited papers
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
2022 · 293 citations
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
2022 · 102 citations
Reinforcement Learning for Molecular Design Guided by Quantum Mechanics
2020 · 21 citations
Flow Annealed Importance Sampling Bootstrap
2022 · 14 citations
A Generative Model for Molecular Distance Geometry
2019 · 10 citations
Symmetry-Aware Actor-Critic for 3D Molecular Design
2020 · 9 citations
DOCKSTRING: easy molecular docking yields better benchmarks for ligand design
2021
Top co-authors
José Miguel Hernández-Lobato
· 3
Christoph Ortner
· 2
D\'avid P\'eter Kov\'acs
· 2
G\'abor Cs\'anyi
· 2
Ilyes Batatia
· 2
Jos\'e Miguel Hern\'andez-Lobato
· 2
Robert Pinsler
· 2
Albert Musaelian
· 1
Andreas Bender
· 1
Austin Tripp
· 1
Bernhard Sch\"olkopf
· 1
Boris Kozinsky
· 1
Topics
Chemistry
Drug Discovery
Materials
Math & Equations
Physics ML
Protein Science