☆23Nov 1, 2023Updated 2 years ago
Alternatives and similar repositories for nequip-jax
Users that are interested in nequip-jax are comparing it to the libraries listed below
Sorting:
- ☆22May 7, 2025Updated 10 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆113Apr 7, 2025Updated 11 months ago
- Build neural networks for machine learning force fields with JAX☆133Jun 2, 2025Updated 9 months ago
- jax library for E3 Equivariant Neural Networks☆224Aug 25, 2025Updated 6 months ago
- Steerable E(3) GNN in jax☆24Oct 1, 2023Updated 2 years ago
- Equivariant machine learning interatomic potentials in JAX.☆88Feb 10, 2026Updated 3 weeks ago
- A library for building equivariant neural networks and a zoo of implementations & examples.☆31Aug 9, 2022Updated 3 years ago
- MACE_Osaka24 models☆26Dec 19, 2024Updated last year
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 3 years ago
- Multi-language library for the calculation of spherical harmonics in Cartesian coordinates☆95Mar 2, 2026Updated last week
- Force-field-enhanced Neural Networks optimized library☆81Feb 9, 2026Updated last month
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆132Updated this week
- ☆13Feb 11, 2025Updated last year
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆16Nov 20, 2025Updated 3 months ago
- Implementation of various equivariant models in JAX☆12Apr 12, 2024Updated last year
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Feb 24, 2025Updated last year
- ☆12Oct 10, 2023Updated 2 years ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆16Jan 12, 2021Updated 5 years ago
- ☆12May 10, 2024Updated last year
- Lab materials for MIT 3.320 and Harvard AP 275 courses on atomistic modeling☆15Apr 20, 2021Updated 4 years ago
- ☆104Feb 23, 2026Updated 2 weeks ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆61Sep 19, 2025Updated 5 months ago
- ☆34Feb 12, 2025Updated last year
- Compute neighbor lists for atomistic systems☆74Feb 27, 2026Updated last week
- NequIP is a code for building E(3)-equivariant interatomic potentials☆872Updated this week
- Implementing PaiNN in Pytorch Geometric☆14Mar 10, 2022Updated 3 years ago
- ☆17Sep 17, 2025Updated 5 months ago
- JAX implementation of the NequIP neural network interatomic potential☆16Feb 24, 2026Updated last week
- Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials☆466Updated this week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,082Updated this week
- Official code repository of paper Equivariance via Minimal Frame Averaging for More Symmetries and Efficiency.☆19Jan 18, 2025Updated last year
- [ICLR 2024] Official Implementation of Long-Short-Range Message-Passing☆19Sep 7, 2025Updated 6 months ago
- cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffD…☆368Feb 17, 2026Updated 2 weeks ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆69Nov 2, 2024Updated last year
- Torch-native, batchable, atomistic simulations.☆423Updated this week
- Collection of Tutorials on Machine Learning Interatomic Potentials☆25Jul 26, 2024Updated last year
- A machine learned Molecular Mechanics force field with integration into GROMACS and OpenMM☆60Jan 21, 2026Updated last month
- A scalable and versatile library to generate representations for atomic-scale learning☆83Jan 11, 2024Updated 2 years ago