Daniel Probst

21 papers A* 1Journal 19Unranked 1
YearRankTypeTitle / Venue / Authors
2025 A* conf
Boosting Protein Graph Representations through Static-Dynamic Fusion.
ICML
Pengkang Guo, Bruno E. Correia, Pierre Vandergheynst, Daniel Probst
2025 J jnl
Generative Modeling of Full-Atom Protein Conformations using Latent Diffusion on Graph Embeddings.
CoRR
Aditya Sengar, Ali Hariri, Daniel Probst, Patrick Barth, Pierre Vandergheynst
2025 J jnl
Implicit Neural Representations of Molecular Vector-Valued Functions.
CoRR
Jirka Lhotka, Daniel Probst
2025 J jnl
To Bin or not to Bin: Alternative Representations of Mass Spectra.
CoRR
Niek F. de Jonge, Justin J. J. van der Hooft, Daniel Probst
2024 J jnl
Molecular set representation learning.
Nat. Mac. Intell.
Maria Boulougouri, Pierre Vandergheynst, Daniel Probst
2023 J jnl
An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification.
J. Cheminformatics
Daniel Probst
2022 J jnl
Social and environmental impact of recent developments in machine learning on biology and chemistry research.
CoRR
Daniel Probst
2021 J jnl
An automated machine learning-genetic algorithm (AutoML-GA) approach for efficient simulation-driven engine design optimization.
CoRR
Opeoluwa Owoyele, Pinaki Pal, Alvaro Vidal Torreira, Daniel Probst, Matthew Shaxted, Michael Wilde, Peter Kelly Senecal
2021 J jnl
Mapping the space of chemical reactions using attention-based neural networks.
Nat. Mach. Intell.
Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
2020 J jnl
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks.
CoRR
Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
2020 J jnl
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome.
J. Cheminformatics
Alice Capecchi, Daniel Probst, Jean-Louis Reymond
2020 J jnl
Visualization of very large high-dimensional data sets as minimum spanning trees.
J. Cheminformatics
Daniel Probst, Jean-Louis Reymond
2019 J jnl
Visualization of Very Large High-Dimensional Data Sets as Minimum Spanning Trees.
CoRR
Daniel Probst, Jean-Louis Reymond
2018 J jnl
A probabilistic molecular fingerprint for big data settings.
J. Cheminformatics
Daniel Probst, Jean-Louis Reymond
2018 J jnl
Exploring DrugBank in Virtual Reality Chemical Space.
J. Chem. Inf. Model.
Daniel Probst, Jean-Louis Reymond
2018 J jnl
FUn: a framework for interactive visualizations of large, high-dimensional datasets on the web.
Bioinform.
Daniel Probst, Jean-Louis Reymond
2018 J jnl
SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript.
J. Chem. Inf. Model.
Daniel Probst, Jean-Louis Reymond
2017 J jnl
WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces.
J. Chem. Inf. Model.
Mahendra Awale, Daniel Probst, Jean-Louis Reymond
2007 — conf
An Early-Warning System to Support Activities in the Management of Customer Equity and How to Obtain the Most from Spatial Customer Equity Potentials.
GfKl
Klaus Thiel, Daniel Probst
2004 J jnl
Learning by matching patterns.
Games Econ. Behav.
Val E. Lambson, Daniel Probst
1999 J jnl
Evolutionary Game Theory
J. Artif. Soc. Soc. Simul.
Daniel Probst