nickjbrowning / cuda_mace
CUDA implementations of MACE models
☆15Updated 3 months ago
Alternatives and similar repositories for cuda_mace
Users that are interested in cuda_mace are comparing it to the libraries listed below
Sorting:
- ☆21Updated last week
- ☆23Updated last year
- ☆16Updated last week
- ☆18Updated 2 years ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 6 months ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆20Updated 6 months ago
- MESS: Modern Electronic Structure Simulations☆30Updated last month
- Compute neighbor lists for atomistic systems☆53Updated last week
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- ☆21Updated last year
- MESS: Modern Electronic Structure Simulations☆20Updated 7 months ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆31Updated last year
- ☆18Updated last week
- Training Neural Network potentials through customizable routines in JAX.☆25Updated 2 months ago
- Atomistic machine learning models you can use everywhere for everything☆15Updated last week
- Equivariant machine learning interatomic potentials in JAX.☆72Updated 3 weeks ago
- Alchemical machine learning interatomic potentials☆28Updated 6 months ago
- tools for graph-based machine-learning potentials in jax☆24Updated last year
- Collection of Tutorials on Machine Learning Interatomic Potentials☆18Updated 9 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics☆56Updated last week
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning☆12Updated last week
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆57Updated this week
- python workflow toolkit☆39Updated 2 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆39Updated last week
- Higher order equivariant graph neural networks for 3D point clouds☆37Updated last year
- ☆25Updated last year
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆11Updated 2 months ago
- Deprecated - see `pair_nequip_allegro`☆43Updated 3 weeks ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆18Updated 2 years ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆33Updated 4 months ago