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SotA/Medical/Atomistic Description

Atomistic Description

45 benchmarks0 papers

Benchmarks

Atomistic Description on BBBP

Atomistic Description on QM9

MAE avg. log MAE

Atomistic Description on BACE

Atomistic Description on Tox21

Atomistic Description on SIDER

Atomistic Description on clintox

ROC-AUC Molecules (M)

Atomistic Description on Lipophilicity

Atomistic Description on FreeSolv

Atomistic Description on HIV dataset

Atomistic Description on ESOL

Atomistic Description on Materials Project

Atomistic Description on QM7

Atomistic Description on QM8

Atomistic Description on ToxCast

Atomistic Description on JARVIS-DFT

Atomistic Description on MoleculeNet

Atomistic Description on 3BPA

Atomistic Description on Acetylacetone

Atomistic Description on Aspirin

Atomistic Description on Ethanol

Atomistic Description on GeTe

Atomistic Description on LiPS

Atomistic Description on LiPS20

Atomistic Description on MUV

Atomistic Description on Naphthalene

Atomistic Description on OQMD v1.2

Atomistic Description on Salicylic Acid

Atomistic Description on HIV

Atomistic Description on OQM9HK

Atomistic Description on Clearance

Atomistic Description on Molecule3D test

MAE RMSE Validity Validity3D

Atomistic Description on Molecule3D val

MAE RMSE Validity Validity3D

Atomistic Description on PCBA

Atomistic Description on Multi-Labelled SMILES Odors dataset