OpenMol/Reagent_Prediction

--- license: mit --- ## Data Source We include reactions in "Mol-Instruction / Reagent_Prediction" dataset and the USPTO reaction dataset (RCR) collected in [TextReact](https://github.com/thomas0809/textreact/tree/main).\ We filter and fetch the intersection of the above two data sources. \ In general, three different tasks are involved: - `reagent prediction` (train: #57,162, dev: #6,216 , test: #6,378) - `solvent prediction` (train: #70,988, dev: #7,694, test: #7,793) - `catalyst prediction` (train:#10,232, dev: #1,059, test: #1,015)