LLMs for Materials and Chemistry Hackathon Projects

All project descriptions for the upcoming hackathon will be available on a Miro board. Team leaders can post their project ideas, and individuals looking for a team can create their own project proposal with their details. More information will be provided closer to the event date.

2024 Projects

2024 Prize Winners

Radical AI prizes

1st: Langsim

2nd: GlossaGen

3rd: Porevoyant

4th: Team Datalab

Neo4j prizes

ActiveScience, GlossaGen, Lithium Heart

Anthropic prizes

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

Ontosynthesis

Llama3 Material Scientist

Canalicchio, Alessandro (iteratec GmbH); Mosshammer, Alexander (iteratec GmbH); Rug, Tehseen (iteratec GmbH)

Thoughtful Beavers

Aleyna Beste Ozhan (MIT), Soroush Mahjoubi (MIT)

NOMAD Query Reporter

Nathan Daelman, Bernadette Mohr, Sascha Klawohn, Fabian Schöppach, Carla Terboven

The learning LOBSTERs

Aakash Naik, Katharina Ueltzen

Speech Schema Filling

Näström, Hampus; Schumann, Julia; Götte, Michael; Marquez, José A.

LLMicroscopilot

Schloz, Marcel; Cojal Gonzalez, Jose

LLMs for Hypothesis Assessment

Marcus Schwarting

Knowledge Graph RAG for Polymer Simulation

Jiale Shi, Dandan Tang, Weijie Zhang, Chi Zhang

ChemSense

Mara Wilhelmi, Nawaf Alampara, Martiño Ríos García, Abdelrahman Ibrahim

Insight Engineers

Tapashree Pradhan, Devi Dutta Biswajeet

MC-Peptide

Andres M Bran, Anna Borisova, Mark Tropin, Yi Zhang, Rob Mills, Marcel Moran, Stefan Peters, Eric Bezzam

Geometric-Geniuses

Jan Weinreich, Amirhossein D. Naghdi, Ankur Gupta, Alishba Imran

Liverpool Materials

Federico Ottomano, Elena Patyukova, Judith Clymo, Dmytro Antypov, Chi Zhang, Aritra Roy, Piyush Ranjan Maharana, Weijie Zhang, Xuefeng Liu, Erik Bitzek

G-Peer-T

Al-Feghali, Alexander; Zhang, Sylvester

LLMy Way

Zhu, Ruijie; Yang, Faradawn; Qin, Andrew; Sudhakar, Suraj; Park, Jaehee; Chen, Victor

GlossaGen

Plessers, Dieter; Lederbauer, Magdalena; Schwaller, Philippe

LLM with Molecular Augmented tOken

Pinto, Luis; Nguyen, Xuan Vu; Vinchurkar, Tirtha; Si, Pradip; Kuman, Suneel

MolFoundation

Hassan Harb, Xuefeng Liu, Anastasiia Tsymbal, Oleksandr Narykov, Dana O’Connor, Shagun Maheshwari, Stanley Lo, Zartashia Afzal, Kevin Shen, Archit Vasan

T2Dllama

Chiku Parida, Martin H. Petersen

ActiveScience

Min-Hsueh Chiu

Ontosynthesis

Qianxiang Ai, Jiaru Bai, Kevin Shen, Jennifer D'Souza, Elliot Risch

Clean Water LLM

Olga Taran, Viktoria Baibakova, Maryam Ghazizade Fard, Teslim Olayiwola

Lithium-heart

Zizhang Chen, Xinyi Ni, Pengyu Hong, Rongda Kang, Mark Liao, Sandeep R. Madireddy

LangSim

Yuan Chiang, Giuseppe Fisicaro, Jan Janssen, Greg Juhasz, Sarom Leang, Bernadette Mohr, Utkarsh Pratiush, Francesco Ricci, Leopold Talirz, Pablo Andres Unzueta, Trung Vo, Gabriel Vogel, Sebastian Pagel

LLMads

Sarthak Kapoor, Jose Pizarro, Vikrant, Alvin, Ahmed Ilyas

PoreVoyant

Mehrad Ansari, Sartaaj Khan, Mahyar Rajabi, Seyed Mohamad Moosavi, Amro Aswad

Materials Agent

Archit Datar, Kedar Dabhadkar

Sparks Group

Sayeed, Hasan; Mohanty, Trupti; Issa, Ramsey; Sparks, Taylor

MaSTeA

Circi, Defne; Mohd, Zaki; Gangan, Abhijeet; Singh Grover, Hargun; Anees, Faisal

SpectraLLM

Josephson, Tyler; Agbere, Fariha; Ishimwe, Kevin; Jones, Colin; Puli, Charishma; Sharlin, Samiha; Liu, Hao

VizChem

Ghazal Khalighinejad, Shang Zhu, Xuefeng Liu

Alchemae

Mohammed R. Alalouni

Team Datalab

Evans, Matthew; Bocarsly, Joshua; Charmes, Benjamin; Patel, Vraj

InfoChem

Vrundan Shah, Vinay Kakkad, Falak Shah, Tushar Gadhiya

2023 Projects

Accurate Molecular Energy Predictions

Ankur K. Gupta, Garrett W. Merz, Alishba Imran, Wibe A. de Jong

Text2Concrete

Sabine Kruschwitz, Christoph Völker, Ghezal Ahmad Zia

Molecule Discovery by Context

Zhi Hong, Logan Ward

Genetic algorithm without genes

Benjamin Weiser, Jerome Genzling, Nicolas Gastellu, Sylvester Zhang, Tao Liu, Alexander Al-Feghali, Nicolas Moitessier, Anne Labarre, Steven Ma

Text-template paraphrasing

Michael Pieler

BOLLaMa

Bo jana Rankovic, Andres M. Bran, Philippe Schwaller

sMolTalk

Jakub Lala, Sean Warren, Samuel G. Rodriques

MAPI-LLM

Mayk Caldas Ramos, Sam Cox, Andrew White

Conversational ELN interface (Whinchat)

Joshua D. Bocarsly, Matthew L. Evans and Ben E. Smith

InsightGraph

Defne Circi, Shruti Badhwar

Extracting Structured Data from Free-form Organic Synthesis Text

Qianxiang Ai, Jacob N. Sanders, Jiale Shi, Stefan Bringuier, Brenden Pelkie, Marcus Schwarting

TableToJson: Structured information from scientific data in tables

Maria Victoria Gil

AbstractToTitle & TitleToAbstract: text summarization and generation

Kamal Choudhary

I-Digest

Beatriz Mourino, Elias Moubarak, Joren Van Herck, Sauradeep Majumdar, Xiaoqi Zhang