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Molecular Property Pred.
Predicting physicochemical and biological properties of molecules, such as solubility, toxicity, and bioactivity, from molecular structure.
Leaderboard
90 models total
Benchmarks
BBBP
Bace
ClinTox
FreeSolv
Sider
ToxCast
Tox21
ESOL
HIV
MUV
QM9
Tox21
BioAct-Het
Lipophilicity
CYP450
Lipophilicity
ogbg-molhiv
massspecgym
Madgen
Materials Project
Matformer
QM7
QM8
Abraham
Chromophore
CombiSolv
CompSol
MNSol
JARVIS-DFT
ALIGNN
Lipo
3BPA
acetylacetone
Open Vaccine COVID-19
Ribonanza-2k
Aspirin
CoV2
CoV2-3CL
ethanol
GeTe
GlassTemp
LBA
LiPS
LiPS20
Matbench-Discovery
MeltingTemp
MOLHIV
Naphthalene
OQM9HK
OQMD v1.2
Salicylic Acid
adult
AIDS
CALHOUSING
churn
Diabetes
MOLBACE
MOLESOL
ogbg-code2
ogbn-proteins
Tc-Riboswitches
WINE
1M analog mm-wave circuits dataset
ABALONE
Auto MPG
Blog Feedback
Carcinogens
Clearance
SPMM
CREDIT
CSP Targets
DILI
DRYBEAN
EA
ENZYMES
FICO
G21EA
G21IP
gen-cls
IP
LETTER
MADELON
MICROSOFT
MolFreeSolv
MolLipo
MOLTOX21
MUTAG
Mutagenicity
O2Perm
ONLINE
PASCALVOC-SP
PCBA
PolyDensity
Skin Reaction
Tc-Ribo
W4-17
YAHOO
1D anti-ferromagnetic Heisenberg model
Ag∪Au-PBE
Airfoil
Al∪Mg∪Cu
Apple_leaf
BA-2motifs
BACE-R
BACE-S
bank
BBB
BBBP-R
BBBP-S
BH
Bioavailability
Broad
ChEMBL
cmc
COCO-SP
CompSolv
CovidVaccine
credit-approval
credit-g
Cu
dresses-sales
DrugBank vs ZINC20
E. coli MIC
Elasticity
eye-movements
f^(1)
f^(2)
f^(3)
fars
Galaxy Zoo DECaLS5
GS-LF
H. influenzae MIC
H2O-PD
Heisenberg model
HfO2
HIA
Insurance
jasmine
KDD
kick
Lobster
Mango_DMC
MCF-7
MF(R562,R568)
MF(R568,R562)
MNSolv
MolBBBP
MolSIDER
MolToxCast
MotifHallu
mRFP Protein
NCI1
NCI109
nomao
Ogbg-BACE
Ogbg-BBBP
Ogbg-ClinTox
Ogbg-FreeSolv
Ogbg-molbbbp
ogbg-molpcba
okcupid-stem
online-shoppers
PAMPA
Parametric heat equation
PCBA-1030
PCBA-1458
PCBA-4467
PCQM-Contact
Peptides-func
PGP
Pipe
Plasticity
PROTEINS
PTC
QM9Solv
qsar
RF00001
RF00004
RF00005
RF00020
RF00026
RF00028
RF00050
RF00167
RF00234
RF01727
RF02541
Ribonanza
RNA solvent accessibility prediction
RNASolo
road-safety
Shipping
shrutime
SM
Sn
SSE-PBE
star graph
Strawberry_puree
synthetic rotation-equivariant vector fields
Tablet(1, 2)
Tablet(1,1)
Tablet(1,2)
Tablet(2, 1)
Tablet(2,1)
Tablet(2,2)
Temperature optimum
Temperature range
Ti
V
W
ZINC