Training Alliance for Computational Systems chemistry

View Statistics Email Alert RSS Feed

Primary Data

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
 

Grants

Funder/Funding Agency Fördergeber
European Commission
Grant number Förderkennnummer
Proposal number: 101072930
 

Publications

Results 1-4 of 4 (Search time: 0.003 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Phan-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
2Pluska-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
3Phan, 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
4Gonzalez 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