ACEsuit /MACE-OFF
Machine-learned interatomic potential
★ 1.4k · Updated 2d ago · MIT
Interactive molecular trajectory visualization widget
The paper or list names a code repository. The repository itself was not opened.
Last commit 2026-02-02
The year the source list gave; the exact date was not checked.
ACEsuit /MACE-OFF
Machine-learned interatomic potential
★ 1.4k · Updated 2d ago · MIT
MolecularAI /Optimal Molecular Design
De novo molecular design and optimization
★ 860 · Updated 8w ago · Apache
aiqm /ANI-2x
Neural network interatomic potential training
★ 566 · Updated 3d ago · MIT
JuliaMolSim /Molly.jl
Molecular simulation in Julia
★ 493 · Updated 5w ago · MIT
torchmd /TorchMD-NET equivariant transformer
Neural network interatomic potential training
★ 483 · Updated 10d ago · MIT
atomicarchitects /EquiformerV2
Equivariant transformer for atomistic graphs
★ 353 · Updated 6mo ago · MIT