Federated kMeans, PCA+kMeans, and LSH methods can approximate centralized clustering for molecular data diversity when evaluated with chemistry-informed metrics like the introduced SF-ICF.
Rdkit documentation
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
verdicts
UNVERDICTED 2representative citing papers
Hackathon submissions indicate LLMs are moving from general assistants toward composable multi-agent systems for structuring scientific knowledge and automating tasks in materials science and chemistry.
citing papers explorer
-
Insights into the Unknown: Federated Data Diversity Analysis on Molecular Data
Federated kMeans, PCA+kMeans, and LSH methods can approximate centralized clustering for molecular data diversity when evaluated with chemistry-informed metrics like the introduced SF-ICF.
-
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Hackathon submissions indicate LLMs are moving from general assistants toward composable multi-agent systems for structuring scientific knowledge and automating tasks in materials science and chemistry.