Pinned Repositories
alignn
Atomistic Line Graph Neural Network
high-entropy-alloys-dataset-ML
DFT dataset and machine learning models for high entropy alloys
jarvis_leaderboard
This project provides benchmark-performances of various methods for scientific applications using the datasets available in JARVIS-Tools databases.
LLM-Prop
A repository for the LLM-Prop implementation
paper-data-redundancy
Repo for the paper "Exploiting redundancy in large materials datasets for efficient machine learning with less data"
paper-ml-robustness-material-property
reproduce_matbench
Matbench: Benchmarks for materials science property prediction
reproducibility-alignn
Reproducibility of results in the ALIGNN paper
robocrystallographer
Automatic generation of crystal structure descriptions.
jarvis_leaderboard
Explore State-of-the-Art Materials Design Methods: https://www.nature.com/articles/s41524-024-01259-w
mathsphy's Repositories
mathsphy/paper-data-redundancy
Repo for the paper "Exploiting redundancy in large materials datasets for efficient machine learning with less data"
mathsphy/high-entropy-alloys-dataset-ML
DFT dataset and machine learning models for high entropy alloys
mathsphy/paper-ml-robustness-material-property
mathsphy/alignn
Atomistic Line Graph Neural Network
mathsphy/jarvis_leaderboard
This project provides benchmark-performances of various methods for scientific applications using the datasets available in JARVIS-Tools databases.
mathsphy/LLM-Prop
A repository for the LLM-Prop implementation
mathsphy/reproduce_matbench
Matbench: Benchmarks for materials science property prediction
mathsphy/reproducibility-alignn
Reproducibility of results in the ALIGNN paper
mathsphy/robocrystallographer
Automatic generation of crystal structure descriptions.