Training Alliance for Computational Systems chemistry


Project Acronym Projekt Kurzbezeichnung
TACsy
 
Project Title (de) Projekttitel (de)
Training Alliance for Computational Systems chemistry
 
Project Title (en) Projekttitel (en)
Training Alliance for Computational Systems chemistry
 
Consortium Coordinator Koordinator des Konsortiums
 
Principal Investigator Projektleiter_in
 
Funder/Funding Agency Fördergeber
European Commission
Grant number Förderkennnummer
Proposal number: 101072930
 

Results 1-9 of 9 (Search time: 0.003 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Van Nguyen, Phuoc-Chung ; To, Van-Thinh ; Nguyen Tran, Ngoc-Vi ; Phan, Tieu-Long ; Truong, Tuyen Ngoc ; Gärtner, Thomas ; Merkle, Daniel ; Stadler, Peter F. SynCat: molecule-level attention graph neural network for precise reaction classificationArticle Artikel 2026
2Weinbauer, Klaus ; Phan, Tieu-Long ; Stadler, Peter F. ; Gärtner, Thomas ; Malhotra, Sagar Prime Implicant Explanations for Reaction Feasibility PredictionPreprint Preprint10-Oct-2025
3Blohm, Peter ; Indri, Patrick ; Gärtner, Thomas ; Malhotra, Sagar Probably Approximately Global Robustness CertificationInproceedings Konferenzbeitrag16-Aug-2025
4Kissich, Meinhard ; Weinbauer, Klaus ; Baunach, Marcel Improving Embedded Software Development Courses: A Student Attentive Data-Driven ApproachInproceedings Konferenzbeitrag 1-Jun-2025
5Phan-2025-Journal of Chemical Information and Modeling-vor.pdf.jpgPhan, Tieu-Long ; Weinbauer, Klaus ; González Laffitte, Marcos Emmanuel ; Pan, Yingjie ; Merkle, Daniel ; Andersen, Jakob ; Fagerberg, Rolf ; Flamm, Christoph ; Stadler, Peter F. SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction DatabasesArticle Artikel 2025
6Phan, Tieu-Long ; González Laffitte, Marcos Emmanuel ; Weinbauer, Klaus ; Merkle, Daniel ; Andersen, Jakob Lykke ; Fagerberg, Rolf ; Gatter, Thomas ; Stadler, Peter F SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and AnalysisArticle Artikel 2025
7Pluska-2024-Logical Distillation of Graph Neural Networks-vor.pdf.jpgPluska, Alexander ; Welke, Pascal ; Gärtner, Thomas ; Malhotra, Sagar Logical Distillation of Graph Neural NetworksInproceedings Konferenzbeitrag 2024
8Phan, Tieu-Long ; Klaus Weinbauer ; Thomas Gärtner ; Merkle, Daniel ; Andersen, Jakob ; Fagerberg, Rolf ; Stadler, Peter F. Reaction rebalancing: a novel approach to curating reaction databasesArticle Artikel 2024
9Gonzalez Laffitte-2024-SYMMETRY-BASEL-vor.pdf.jpgGonzález Laffitte, Marcos Emmanuel ; Weinbauer, Klaus ; Phan, Tieu-Long ; Beier, Nora ; Domschke, Nico ; Flamm, Christoph ; Gatter, Thomas ; Merkle, Daniel ; Stadler, Peter F. Partial Imaginary Transition State (ITS) Graphs: A Formal Framework for Research and Analysis of Atom-to-Atom Maps of Unbalanced Chemical Reactions and Their CompletionsArticle Artikel 2024