ACEsuit /MACE-OFF
Machine-learned interatomic potential
Small molecules · Dynamics · simulation
★ 1.4k · Updated 2d ago · MIT
- ★
- 353
- Updated
- 6mo ago
- Licence
- MIT
- Published
- 2023
- Language
- Python
Summary
Equivariant transformer for atomistic graphs
Input and output
Details
- Access
- Code link found
The paper or list names a code repository. The repository itself was not opened.
- Usage signal
- ★ 353 · Python
Last commit 2026-04-10
- Published
- 2023
The year the source list gave; the exact date was not checked.
- Identifiers
- arxiv:2306.12059
Same subject and task
More in Explore →arose /awesome-molecular-dynamics
Interactive molecular trajectory visualization widget
Small molecules · Dynamics · simulation
★ 927 · Updated 8mo ago · Licence unknown
MolecularAI /Optimal Molecular Design
De novo molecular design and optimization
Small molecules · Dynamics · simulation
★ 860 · Updated 8w ago · Apache
aiqm /ANI-2x
Neural network interatomic potential training
Small molecules · Dynamics · simulation
★ 566 · Updated 3d ago · MIT
JuliaMolSim /Molly.jl
Molecular simulation in Julia
Small molecules · Dynamics · simulation
★ 493 · Updated 5w ago · MIT
torchmd /TorchMD-NET equivariant transformer
Neural network interatomic potential training
Small molecules · Dynamics · simulation
★ 483 · Updated 10d ago · MIT