MLIP Hub
Interatomic Potential Explorer
Equivariant & Transformers (Accuracy / Foundations)
Invariant & Descriptors (Speed / Scale)
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Equivariant
NequIP
2021
Equivariant
Allegro
2023
Transformer
Equiformer V2
2024
Equivariant
MACE
2022
Equivariant
GRACE
2024
Transformer
Orb-v3
2025
Transformer
OrbMol
2025
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
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Transformer
Descriptor
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