Magdalena Lederbauer

According to our database, Magdalena Lederbauer authored at least 6 papers between 2024 and 2026.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2026

FRIGID: Scaling Diffusion-Based Molecular Generation from Mass Spectra at Training and Inference Time.

Montgomery Bohde, Hongxuan Liu, Mrunali Manjrekar, Magdalena Lederbauer, Shuiwang Ji, Runzhong Wang, Connor W. Coley

CoRR, April, 2026

2025

LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature.

Magdalena Lederbauer, Siddharth Betala, Xiyao Li, Ayush Jain, Amine Sehaba, Georgia Channing, Grégoire Germain, Anamaria Leonescu, Faris Flaifil, Alfonso Amayuelas, Alexandre Nozadze, Stefan P. Schmid, Mohd Zaki, Sudheesh Kumar Ethirajan, Elton Pan, Mathilde Franckel, Alexandre Duval, N. M. Anoop Krishnan, Samuel P. Gleason

CoRR, October, 2025

34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery.

Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, Mehrad Ansari, Joshua D. Bocarsly, L. Catherine Brinson, Yuan Chiang, Defne Circi, Min-Hsueh Chiu, Nathan Daelman, Matthew L. Evans, Abhijeet Sadashiv Gangan, Janine George, Hassan Harb, Ghazal Khalighinejad, Sartaaj Khan, Sascha Klawohn, Magdalena Lederbauer, Soroush Mahjoubi, Bernadette Mohr, Seyed Mohamad Moosavi, Aakash Naik, Aleyna Beste Ozhan, Dieter Plessers, Aritra Roy, Fabian Schöppach, Philippe Schwaller, Carla Terboven, Katharina Ueltzen, Yue Wu, Shang Zhu, Jan Janssen, Calvin Li, Ian T. Foster, Ben Blaiszik

CoRR, May, 2025

32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery.

Yoel Zimmermann, Adib Bazgir, Alexander Al-Feghali, Mehrad Ansari, Joshua D. Bocarsly, L. Catherine Brinson, Yuan Chiang, Defne Circi, Min-Hsueh Chiu, Nathan Daelman, Matthew L. Evans, Abhijeet Sadashiv Gangan, Janine George, Hassan Harb, Ghazal Khalighinejad, Sartaaj Khan, Sascha Klawohn, Magdalena Lederbauer, Soroush Mahjoubi, Bernadette Mohr, Seyed Mohamad Moosavi, Aakash Naik, Aleyna Beste Ozhan, Dieter Plessers, Aritra Roy, Fabian Schöppach, Philippe Schwaller, Carla Terboven, Katharina Ueltzen, Yue Wu, Shang Zhu, Jan Janssen, Calvin Li, Ian T. Foster, Ben Blaiszik

Mach. Learn. Sci. Technol., 2025

ChemLit-QA: a human evaluated dataset for chemistry RAG tasks.

Geemi P. Wellawatte, Huixuan Guo, Magdalena Lederbauer, Anna S. Borisova, Matthew Hart, Marta Brucka, Philippe Schwaller

Mach. Learn. Sci. Technol., 2025

2024

Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry.

Yoel Zimmermann, Adib Bazgir, Zartashia Afzal, Fariha Agbere, Qianxiang Ai, Nawaf Alampara, Alexander Al-Feghali, Mehrad Ansari, Dmytro Antypov, Amro Aswad, Jiaru Bai, Viktoriia Baibakova, Devi Dutta Biswajeet, Erik Bitzek, Joshua D. Bocarsly, Anna S. Borisova, Andres M. Bran, L. Catherine Brinson, Marcel Moran Calderon, Alessandro Canalicchio, Victor Chen, Yuan Chiang, Defne Circi, Benjamin Charmes, Vikrant Chaudhary, Zizhang Chen, Min-Hsueh Chiu, Judith Clymo, Kedar Dabhadkar, Nathan Daelman, Archit Datar, Matthew L. Evans, Maryam Ghazizade Fard, Giuseppe Fisicaro, Abhijeet Sadashiv Gangan, Janine George, Jose D. Cojal Gonzalez, Michael Götte, Ankur K. Gupta, Hassan Harb, Pengyu Hong, Abdelrahman Ibrahim, Ahmed Ilyas, Alishba Imran, Kevin Ishimwe, Ramsey Issa, Kevin Maik Jablonka, Colin Jones, Tyler R. Josephson, Greg Juhasz, Sarthak Kapoor, Rongda Kang, Ghazal Khalighinejad, Sartaaj Khan, Sascha Klawohn, Suneel Kuman, Alvin Noe Ladines, Sarom Leang, Magdalena Lederbauer, Sheng-Lun Mark Liao, Hao Liu, Xuefeng Liu, Stanley Lo, Sandeep Madireddy, Piyush Ranjan Maharana, Shagun Maheshwari, Soroush Mahjoubi, José A. Márquez, Rob Mills, Trupti Mohanty, Bernadette Mohr, Seyed Mohamad Moosavi, Alexander Moßhammer, Amirhossein D. Naghdi, Aakash Naik, Oleksandr Narykov, Hampus Näsström, Xuan Vu Nguyen, Xinyi Ni, Dana O'Connor, Teslim Olayiwola, Federico Ottomano, Aleyna Beste Ozhan, Sebastian Pagel, Chiku Parida, Jaehee Park, Vraj Patel, Elena Patyukova, Martin Hoffmann Petersen, Luis Pinto, José M. Pizarro, Dieter Plessers, Tapashree Pradhan, Utkarsh Pratiush, Charishma Puli, Andrew Qin, Mahyar Rajabi, Francesco Ricci, Elliot Risch, Martiño Ríos-García

CoRR, 2024