PASSIONLab / OpenEquivarianceLinks
OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
☆71Updated this week
Alternatives and similar repositories for OpenEquivariance
Users that are interested in OpenEquivariance are comparing it to the libraries listed below
Sorting:
- ☆23Updated last year
- MESS: Modern Electronic Structure Simulations☆20Updated 9 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆39Updated last year
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- ☆18Updated 2 years ago
- ☆22Updated last month
- MESS: Modern Electronic Structure Simulations☆31Updated 2 months ago
- Higher-order equivariant neural networks for charge density prediction in materials☆59Updated 4 months ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 2 months ago
- Pure C implementation of e3nn☆18Updated 3 months ago
- CUDA implementations of MACE models☆15Updated 5 months ago
- ☆12Updated last year
- Computing representations for atomistic machine learning☆71Updated 2 weeks ago
- Build neural networks for machine learning force fields with JAX☆121Updated 3 weeks ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆51Updated 3 months ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated last year
- Collection of tutorials to use the MACE machine learning force field.☆47Updated 9 months ago
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆56Updated 2 months ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated last year
- Compute neighbor lists for atomistic systems☆53Updated last week
- Official implementation of DeepDFT model☆79Updated 2 years ago
- Jax / Haiku implementation of DimeNet++.☆18Updated 3 years ago
- C++/CUDA library for SO(3) equivariant operations☆25Updated last week
- Particle-mesh based calculations of long-range interactions in PyTorch☆51Updated 2 weeks ago
- ☆12Updated last year
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆76Updated 3 years ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆45Updated 3 weeks ago
- Training Neural Network potentials through customizable routines in JAX.☆35Updated last week
- A framework for performing active learning for training machine-learned interatomic potentials.☆36Updated 2 months ago
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆101Updated last year