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Ross Irwin
Observed name:
Irwin, Ross
Institutions:
AstraZeneca (United Kingdom),
AstraZeneca (Sweden),
Chalmers University of Technology,
University of Gothenburg
Observed institutions:
AstraZeneca (United Kingdom),
AstraZeneca (Sweden),
Chalmers University of Technology,
University of Gothenburg
ORCID:
0009-0003-0067-8313
Observed ORCID:
0009-0003-0067-8313
OpenAlex ID:
A5013570692
Chemformer: a pre-trained transformer for computational chemistry
2021
·
Ross Irwin
, Spyridon Dimitriadis
, et al.
·
Machine Learning Science and Technology
·
401
PDF
SemlaFlow -- Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching
2024
·
Irwin, Ross
, Tibo, Alessandro
, et al.
·
arXiv (Cornell University)
·
38
PDF
FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generation
2026
·
Julian Cremer
, Ross Irwin
, et al.
·
Nature Computational Science
·
24
PDF
PySMILESUtils – Enabling deep learning with theSMILES chemical language
2021
·
Esben Bjerrum
, Tobias Rastemo
, et al.
·
ChemRxiv
·
9
PDF
PySMILESUtils – Enabling deep learning with the SMILES chemical language
2021
·
Esben Bjerrum
, Tobias Rastemo
, et al.
·
4
Boltzmann-Expected Molecular Design with Decoupled Annealing Flows
2026
·
Moqvist, Selma
, Beckmann, Richard
, et al.
·
arXiv (Cornell University)
·
2
PDF
Assessing the factors influencing the quality of pocket-conditioned 3D generative models
2026
·
Kunyu Wang
, Helen Lai
, et al.
·
Journal of Cheminformatics
·
1
Ensemble-Conditioned Molecular Design
2026
·
Irwin, Ross
, Tibo, Alessandro
, et al.
·
arXiv (Cornell University)
PDF
Training and evaluation data, and trained model checkpoint for the Ensemble-Conditioned Molecular Design research paper
2026
·
Irwin, Ross
·
Zenodo (CERN European Organization for Nuclear Research)
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Works count:
11
Citation count:
480
H-index:
4
I10-index:
3
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