no code implementations • 18 May 2025 • Adrian Mirza, Nawaf Alampara, Martiño Ríos-García, Mohamed Abdelalim, Jack Butler, Bethany Connolly, Tunca Dogan, Marianna Nezhurina, Bünyamin Şen, Santosh Tirunagari, Mark Worrall, Adamo Young, Philippe Schwaller, Michael Pieler, Kevin Maik Jablonka
Foundation models have shown remarkable success across scientific domains, yet their impact in chemistry remains limited due to the absence of diverse, large-scale, high-quality datasets that reflect the field's multifaceted nature.
3 code implementations • 25 Nov 2024 • Nawaf Alampara, Mara Schilling-Wilhelmi, Martiño Ríos-García, Indrajeet Mandal, Pranav Khetarpal, Hargun Singh Grover, N. M. Anoop Krishnan, Kevin Maik Jablonka
Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from literature review to experimental design and data analysis.
1 code implementation • 20 Nov 2024 • 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 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, Wibe A. de Jong, 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, 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, Aritra Roy, Tehseen Rug, Hasan M Sayeed, Markus Scheidgen, Mara Schilling-Wilhelmi, Marcel Schloz, Fabian Schöppach, Julia Schumann, Philippe Schwaller, Marcus Schwarting, Samiha Sharlin, Kevin Shen, Jiale Shi, Pradip Si, Jennifer D'Souza, Taylor Sparks, Suraj Sudhakar, Leopold Talirz, Dandan Tang, Olga Taran, Carla Terboven, Mark Tropin, Anastasiia Tsymbal, Katharina Ueltzen, Pablo Andres Unzueta, Archit Vasan, Tirtha Vinchurkar, Trung Vo, Gabriel Vogel, Christoph Völker, Jan Weinreich, Faradawn Yang, Mohd Zaki, Chi Zhang, Sylvester Zhang, Weijie Zhang, Ruijie Zhu, Shang Zhu, Jan Janssen, Calvin Li, Ian Foster, Ben Blaiszik
Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions.
no code implementations • 23 Jul 2024 • Mara Schilling-Wilhelmi, Martiño Ríos-García, Sherjeel Shabih, María Victoria Gil, Santiago Miret, Christoph T. Koch, José A. Márquez, Kevin Maik Jablonka
The vast majority of materials science knowledge exists in unstructured natural language, yet structured data is crucial for innovative and systematic materials design.
3 code implementations • 1 Apr 2024 • Adrian Mirza, Nawaf Alampara, Sreekanth Kunchapu, Martiño Ríos-García, Benedict Emoekabu, Aswanth Krishnan, Tanya Gupta, Mara Schilling-Wilhelmi, Macjonathan Okereke, Anagha Aneesh, Amir Mohammad Elahi, Mehrdad Asgari, Juliane Eberhardt, Hani M. Elbeheiry, María Victoria Gil, Maximilian Greiner, Caroline T. Holick, Christina Glaubitz, Tim Hoffmann, Abdelrahman Ibrahim, Lea C. Klepsch, Yannik Köster, Fabian Alexander Kreth, Jakob Meyer, Santiago Miret, Jan Matthias Peschel, Michael Ringleb, Nicole Roesner, Johanna Schreiber, Ulrich S. Schubert, Leanne M. Stafast, Dinga Wonanke, Michael Pieler, Philippe Schwaller, Kevin Maik Jablonka
Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained.