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Papers matching “design representation” 74

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DrugEx v3: Scaffold-Constrained Drug Design with Graph Transformer-based Reinforcement Learning
2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Xuhan Liu, Kai Ye, Herman van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen

11

citations
UnCorrupt SMILES: a novel approach to de novo design
2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Linde Schoenmaker, Olivier J. M. Béquignon, Willem Jespers, Gerard J. P. van Westen

3

citations
UnCorrupt SMILES: a novel approach to de novo design
2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Linde Schoenmaker, Olivier J. M. Béquignon, Willem Jespers, Gerard J. P. van Westen

3

citations
AlphaFold meets de novo drug design: leveraging structural protein information in multi-target molecular generative models
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuß, Gerard J. P. van Westen

1

citations
AlphaFold meets de novo drug design: leveraging structural protein information in multi-target molecular generative models
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuß, Gerard J. P. van Westen

0

citations
Evolving Embodied Intelligence: Graph Neural Network--Driven Co-Design of Morphology and Control in Soft Robotics
2026 arXiv (Cornell University) preprint Engineering Soft Robotics and Applications Open access

Jianqiang Wang, Shuaiqun Pan, Álvaro Serra-Gómez, Xiaohan Wei, Yue Hong Xie

0

citations
ExPAN(N)D: Exploring Posits for Efficient Artificial Neural Network Design in FPGA-Based Systems
2020 arXiv (Cornell University) preprint Computer Science Numerical Methods and Algorithms Open access

Suresh Nambi, Salim Ullah, Siva Satyendra Sahoo, Aditya Lohana, Farhad Merchant, Akash S. Kumar

4

citations
Optimal Refinement in Dynamic Discretisation Discovery for Continuous-Time Service Network Design
2026 arXiv (Cornell University) preprint Computer Science Complexity and Algorithms in Graphs Open access

Alexander Helber, Oliver Bachtler, Tom Wüllner

0

citations
The GA4GH Phenopacket schema: A computable representation of clinical data for precision medicine
2021 medRxiv preprint Biochemistry, Genetics and Molecular Biology Biomedical Text Mining and Ontologies Open access

Julius O.B. Jacobsen, Michael Baudis, Gareth S Baynam, J. Beckmann, Sergi Beltrán, Tiffany J. Callahan, +41 more

14

citations
Design and validation of a multi-task, multi-phase protocol for real-world gait simulation
2022 Research Square preprint Health Professions Balance, Gait, and Falls Prevention Open access

Kirsty Scott, Tecla Bonci, Francesca Salis, Lisa Alcock, Ellen E. Buckley, Eran Gazit, +37 more

3

citations
New Ideas and Trends in Deep Multimodal Content Understanding: A Review
2020 arXiv (Cornell University) preprint Computer Science Multimodal Machine Learning Applications Open access

Wei Chen, Weiping Wang, Li Liu, Michael S. Lew

3

citations
NeuroNURBS: Learning Efficient Surface Representations for 3D Solids
2024 arXiv (Cornell University) preprint Engineering 3D Shape Modeling and Analysis Open access

Babak Gholami, Thomas Bäck, Hao Wang

3

citations
Tabular foundation models for in-context prediction of molecular properties
2026 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Karim Ben Hicham, Jan G. Rittig, Martin Grohe, Alexander Mitsos

0

citations
A FAIR layer for the INHERENT haemoglobinopathy patient registry
2026 medRxiv preprint Computer Science Research Data Management Practices Open access

Stella Tamana, Christina Yiangou, Kalia Orphanou, Maria Xenophontos, Panayiota L. Papasavva, César H. Bernabé, +12 more

0

citations
BrainWideBench: Benchmarking large-scale pretraining and across-animal transfer in multi-region neural recordings.
2026 PubMed preprint Neuroscience Neural dynamics and brain function Open access

Alexandre Andre, Shivashriganesh P. Mahato, Vinam Arora, Keshav Balaji, Divyansha Lachi, Nanda H. Krishna, +35 more

0

citations
Residual Connections and Normalization Can Provably Prevent Oversmoothing in GNNs
2024 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Michael Scholkemper, Xinyi Wu, Ali Jadbabaie, Michael T. Schaub

1

citations
Accurate Distances Measures and Machine Learning of the Texture-Property Relation for Crystallographic Textures Represented by One-Point Statistics
2023 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access

Tarek Iraki, Lukas Morand, Norbert Link, Stefan Sandfeld, Dirk Helm

0

citations
Delayed Hawkes birth-death processes
2023 arXiv (Cornell University) preprint Business, Management and Accounting Advanced Queuing Theory Analysis Open access

Justin Baars, Roger J. A. Laeven, Michel Mandjes

0

citations
NewtCap: an efficient target capture approach to boost genomic studies in Salamandridae (true salamanders and newts)
2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Genetic diversity and population structure Open access

Manon Chantal de Visser, James France, Evan McCartney‐Melstad, Gary M. Bucciarelli, Anagnostis Theodoropoulos, Howard Bradley Shaffer, +1 more

10

citations
Lifelong Person Re-Identification via Adaptive Knowledge Accumulation
2021 arXiv (Cornell University) preprint Computer Science Video Surveillance and Tracking Methods Open access

Nan Pu, Wei Ren Chen, Yu Liu, Erwin M. Bakker, Michael S. Lew

9

citations
Graph neural networks for the prediction of molecular structure-property relationships
2022 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Jan G. Rittig, Qinghe Gao, Manuel Dahmen, Alexander Mitsos, Artur M. Schweidtmann

2

citations
DoE2Vec: Deep-learning Based Features for Exploratory Landscape Analysis
2023 arXiv (Cornell University) preprint Computer Science Metaheuristic Optimization Algorithms Research Open access

Bas van Stein, Fu Xing Long, Moritz A. Frenzel, Peter Krause, Markus Gitterle, Thomas Bäck

3

citations
Symbolic Pauli Propagation for Gradient-Enabled Pre-Training of Quantum Circuits
2025 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

0

citations
Evaluation of SURUS: a Named Entity Recognition System to Extract Knowledge from Interventional Study Records
2024 medRxiv preprint Biochemistry, Genetics and Molecular Biology Biomedical Text Mining and Ontologies Open access

Casper Peeters, Koen Vijverberg, Marianne G. Pouwer, Bart A. Westerman, Maikel Boot, Suzan Verberne

1

citations
Computational Capabilities and Compiler Development for Neutral Atom Quantum Processors: Connecting Tool Developers and Hardware Experts
2023 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

L. Schmid, David F. Locher, Manuel Rispler, Sebastian Blatt, Johannes Zeiher, Markus Michael Müller, +1 more

0

citations