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LLM Hackathon for Applications in Materials and Chemistry

2024

Name Authors Links
Llama3 Material Scientist Canalicchio, Alessandro (iteratec GmbH); Mosshammer, Alexander (iteratec GmbH); Rug, Tehseen (iteratec GmbH) linkedin.com, github.com
Thoughtful Beavers Aleyna Beste Ozhan (MIT), Soroush Mahjoubi (MIT) youtube.com, github.com
NOMAD Query Reporter Nathan Daelman *, Bernadette Mohr *, Sascha Klawohn *, Fabian Schöppach , Carla Terboven ** (: FAIRmat NDFI, Humboldt University Berlin, **: Hasso Plattner Institute) linkedin.com, github.com
The learning LOBSTERs Aakash Naik (Federal Institute For Materials Research and Testing, Friedrich Schiller University Jena), Katharina Ueltzen (Federal Institute For Materials Research and Testing) youtube.com, github.com
Speech Schema Filling Näström, Hampus (HU Berlin, FAIRmat), Schumann, Julia (HU Berlin, FAIRmat), Götte, Michael (Helmholtz-Zentrum Berlin), Marquez, José A. (HU Berlin, FAIRmat) linkedin.com, github.com
LLMicroscopilot Schloz, Marcel (Humboldt-University zu Berlin) and Cojal Gonzalez, Jose (Humboldt-University zu Berlin) youtube.com, gitlab.com
LLMs for Hypothesis Assessment Marcus Schwarting (University of Chicago) youtube.com, github.com
Knowledge Graph RAG for Polymer Simulation Jiale Shi (MIT), Dandan Tang (UVA), Weijie Zhang (UVA), Chi Zhang (RWTH) twitter.com, github.com
ChemSense Mara Wilhelmi (FSU Jena), Nawaf Alampara (FSU Jena), Martiño Ríos García (FSU Jena and INCAR-CSIC) and Abdelrahman Ibrahim (FSU Jena) twitter.com, github.com
Insight Engineers Tapashree Pradhan (KU Leuven, Belgium), Devi Dutta Biswajeet (University of Illinois Chicago, USA) youtube.com, github.com
MC-Peptide Andres M Bran, Anna Borisova, Mark Tropin, Yi Zhang, Rob Mills, Marcel Moran, Stefan Peters, Eric Bezzam youtube.com, github.com
Geometric-Geniuses Jan Weinreich (EPFL), Amirhossein D. Naghdi (IDEAS NCBR), Ankur Gupta (LBNL), Alishba Imran (University of Berkeley) youtube.com, github.com
Liverpool Materials Federico Ottomano, Elena Patyukova, Judith Clymo, Dmytro Antypov, Chi Zhang, Aritra Roy, Piyush Ranjan Maharana, Weijie Zhang, Xuefeng Liu, Erik Bitzek youtube.com, github.com
G-Peer-T Al-Feghali, Alexander (McGill University), Sylvester Zhang (McGill University) youtube.com, github.com
LLMy Way Zhu, Ruijie (University of Chicago, Pritzker School of Molecular Engineering); Yang, Faradawn (University of Chicago, Department of Computer Science); Qin, Andrew (University of Chicago, Pritzker School of Molecular Engineering); Sudhakar, Suraj (University of Chicago, Pritzker School of Molecular Engineering); Park, Jaehee (University of Chicago, Pritzker School of Molecular Engineering); Chen, Victor (University of Chicago, Pritzker School of Molecular Engineering) youtube.com, github.com
GlossaGen Plessers, Dieter (KU Leuven, Center for Sustainable Catalysis and Engineering), Lederbauer, Magdalena (ETH Zurich, Department of Chemistry and Applied Biosciences and EPFL, Laboratory of Artificial Chemical Intelligence), Schwaller, Philippe (EPFL, Laboratory of Artificial Chemical Intelligence and NCCR Catalysis) twitter.com, github.com
LLM with Molecular Augmented tOken Pinto, Luis (Air Liquide); Nguyen, Xuan Vu (Università degli Studi di Milano); Vinchurkar, Tirtha (Carnegie Mellon University); Si, Pradip (University of North Texas); Kuman, Suneel (Molecular Forecaster) youtube.com, github.com
MolFoundation Hassan Harb (Argonne National Laboratory), Xuefeng Liu (The University of Chicago), Anastasiia Tsymbal (Rutgers University, University of Pennsylvania), Oleksandr Narykov (Argonne National Laboratory), Dana O’Connor (Pittsburgh Supercomputing Center), Shagun Maheshwari (Carnegie Mellon University), Stanley Lo (University of Toronto), Zartashia Afzal (University of the Punjab), Kevin Shen (noble.ai), Archit Vasan (Argonne National Laboratory) youtube.com, github.com
T2Dllama Chiku Parida (Technical University of Denmark -DTU), Martin H. Petersen (Technical University of Denmark -DTU) linkedin.com, github.com
ActiveScience Min-Hsueh Chiu, University of Southern California twitter.com, github.com
Ontosynthesis Qianxiang Ai (MIT), Jiaru Bai (University of Cambridge), Kevin Shen (Noble AI), Jennifer D'Souza (Technische Informationsbibliothek), Elliot Risch (Enterprise Knowledge) loom.com, github.com
Clean Water LLM Olga Taran, Viktoria Baibakova (Berkley Lab), Maryam Ghazizade Fard (Queen's University), Teslim Olayiwola (LSU) linkedin.com, github.com
Lithium-heart Zizhang Chen (Brandeis), Xinyi Ni (Brandeis), Pengyu Hong (Brandeis), Rongda Kang (Boston University, Factorial Energy), Mark Liao (Stanford University, Factorial Energy), Sandeep R. Madireddy (Argonne National Laboratory) youtube.com, github.com
LangSim Yuan Chiang (UC Berkeley, Lawrence Berkeley National Laboratory), Giuseppe Fisicaro (CNR Institute for Microelectronics and Microsystems), Jan Janssen (Max-Planck Institute for Sustainable Materials), Greg Juhasz (Tokyo Institute of Technology), Sarom Leang (EP Analytics, Inc.), Bernadette Mohr (FAIRmat - HU Berlin, University of Amsterdam), Utkarsh Pratiush, (University of Tennessee, Knoxville), Francesco Ricci (Lawrence Berkeley National Laboratory), Leopold Talirz (Schott), Pablo Andres Unzueta, (Stanford University), Trung Vo (University of Illinois Chicago), Gabriel Vogel (Delft University of Technology), Sebastian Pagel (University of Glasgow) youtube.com, github.com
LLMads Sarthak Kapoor, Jose Pizarro, Vikrant, Alvin, Ahmed Ilyas youtube.com, github.com
PoreVoyant Mehrad Ansari (Acceleration Consortium), Sartaaj Khan (University of Toronto), Mahyar Rajabi (University of Toronto), Seyed Mohamad Moosavi (University of Toronto), Amro Aswad (University of Toronto) youtube.com, github.com
Materials Agent Archit Datar, Celanese Corporation, Kedar Dabhadkar, LAM Research youtube.com github.com
Sparks Group Sayeed, Hasan (University of Utah), Mohanty, Trupti (University of Utah), Issa, Ramsey (University of Utah), Sparks, Taylor (University of Utah) youtube.com, github.com
MaSTeA Circi, Defne (Duke University), Mohd, Zaki (Indian Institute of Technology Delhi), Gangan, Abhijeet (University of California, Los Angeles), Singh Grover, Hargun (Indian Institute of Technology Delhi), Anees, Faisal (Duke University) youtube.com, github.com
SpectraLLM Josephson, Tyler (UMBC), Agbere, Fariha (UMBC), Ishimwe, Kevin (UMBC), Jones, Colin (UMBC), Puli, Charishma (UMBC), Sharlin, Samiha (UMBC), Liu, Hao (Fordham University) youtube.com, github.com
VizChem Ghazal Khalighinejad, Shang Zhu, Xuefeng Liu youtube.com, github.com
Alchemae Mohammed R. Alalouni linkedin.com
Team Datalab Evans, Matthew (UCLouvain), Bocarsly, Joshua (UHouston), Charmes, Benjamin (University of Cambridge), Patel, Vraj (UHouston) twitter.com, github.com
InfoChem Vrundan Shah, Vinay Kakkad, Falak Shah, Tushar Gadhiya loom.com

2024 Prize Winners

Radical AI Prizes

  • 1st Langsim
  • 2nd GlossaGen
  • 3rd Porevoyant
  • 4th Team Datalab

Neo4j prizes (no order)

  • ActiveScience
  • GlossaGen
  • Lithium Heart

Anthropic prizes (no order)

  • G-Peer-T
  • LangSim
  • The Learning LOBSTERs
  • LLMs for Hypothesis Assessment
  • MaSTeA
  • MolFoundation
  • NOMAD Query Reporter
  • PoreVoyant
  • Speech Schema Filling
  • Thoughtful Beavers
  • Vizchem

Reincarnate prizes (no order)

  • Ontosynthesis

2023

Publication

Name Authors Links
Accurate Molecular Energy Predictions Ankur K. Gupta, Garrett W. Merz, Alishba Imran, Wibe A. de Jong ankur56/ChemLoRA, 10.5281/zenodo.8104930
Text2Concrete Sabine Kruschwitz, Christoph Völker, Ghezal Ahmad Zia ghezalahmad/LLMs-for-the-Design-of-Sustainable-Concretes, 10.5281/zenodo.8091195
Molecule Discovery by Context Zhi Hong, Logan Ward globuslabs/ScholarBERT-XL, 10.5281/zenodo.8122087
Genetic algorithm without genes Benjamin Weiser, Jerome Genzling, Nicolas Gastellu, Sylvester Zhang, Tao Liu, Alexander Al-Feghali, Nicolas Moitessier, Anne Labarre, Steven Ma BenjaminWeiser/LLM-Guided-GA, 10.5281/zenodo.8125541
Text-template paraphrasing Michael Pieler micpie/text-template-paraphrasing-chemistry, 10.5281/zenodo.8093615
BOLLaMa Bo jana Rankovic, Andres M. Bran, Philippe Schwaller doncamilom/BOLLaMa, 10.5281/zenodo.8096827
sMolTalk Jakub Lala, Sean Warren, Samuel G. Rodriques jakublala/smoltalk-legacy, 10.5281/zenodo.8081749
MAPI-LLM Mayk Caldas Ramos, Sam Cox, Andrew White maykcaldas/MAPI_LLM, maykcaldas/MAPI_LLM, 10.5281/zenodo.8097336
Conversational ELN interface (Whinchat) Joshua D. Bocarsly, Matthew L. Evans and Ben E. Smith the-grey-group/datalab, 10.5281/zenodo.8127782
InsightGraph Defne Circi, Shruti Badhwar defnecirci/InsightGraph, 10.5281/zenodo.8092575
Extracting Structured Data from Free-form Organic Synthesis Text Qianxiang Ai, Jacob N. Sanders, Jiale Shi, Stefan Bringuier, Brenden Pelkie, Marcus Schwarting qai222/LLM_organic_synthesis, 10.5281/zenodo.8091902
TableToJson: Structured information from scientific data in tables Maria Victoria Gil vgvinter/TableToJson, 10.5281/zenodo.8093731
AbstractToTitle & TitleToAbstract: text summarization and generation Kamal Choudhary usnistgov/chemnlp, 10.5281/zenodo.8122419
I-Digest Beatriz Mourino, Elias Moubarak, Joren Van Herck, Sauradeep Majumdar, Xiaoqi Zhang XiaoqZhang/i-Digest, 10.5281/zenodo.8080962

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