MLIP Hub
Interatomic Potential Explorer
Equivariant & Transformers (Accuracy / Foundations)
Invariant & Descriptors (Speed / Scale)
E(3)
+Attention
Locality
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Attention
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+OMol25
Smooth PES
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Kernels
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Universal Data
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+Charge
Scale
Equivariant
NequIP
2021
Equivariant
Allegro
2023
Transformer
Equiformer V2
2024
Equivariant
MACE
2022
Equivariant
GRACE
2024
Transformer
Orb-v3
2025
Transformer
OrbMol
2025
Equivariant
Tensor Field Networks
2018
Transformer
SE(3)-Transformer
2020
Transformer
JMP
2024
Equivariant
eSEN
2025
Transformer
UMA
2025
Descriptor
BPNN
2007
Descriptor
ACE
2019
Descriptor
GAP / SNAP
2010
Descriptor
DeepMD
2018
Descriptor
DPA-2
2024
Transformer
MatterSim
2024
Descriptor
ANI-2x
2019
Invariant
SchNet
2017
Invariant
DimeNet++
2020
Equivariant
GemNet-OC
2021
Equivariant
PaiNN
2021
Invariant
SevenNet
2024
Invariant
ALIGNN
2021
Invariant
M3GNet
2022
Invariant
CHGNet
2023
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Equivariant
Invariant
Transformer
Descriptor
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80%
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A
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Details