Compound Library

Upload molecular datasets from OC2020, analyze structures, and prepare data for machine learning.

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CSV, JSON, XLSX files from OC2020

oc20_train_data.csv

2.3 GB • 10/3/2025

READY

catalyst_structures.json

456 MB • 10/4/2025

PROCESSING

energy_calculations.xlsx

89 MB • 10/5/2025

UPLOADED