rubber-duck-debug / cuda-maceLinks
CUDA implementations of MACE models
☆15Updated this week
Alternatives and similar repositories for cuda-mace
Users that are interested in cuda-mace are comparing it to the libraries listed below
Sorting:
- ☆22Updated 3 months ago
- ☆24Updated 2 weeks ago
- ☆23Updated last year
- MESS: Modern Electronic Structure Simulations☆36Updated this week
- ☆21Updated 2 weeks ago
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆32Updated last week
- Equivariant machine learning interatomic potentials in JAX.☆74Updated 3 months ago
- ☆18Updated 2 years ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 9 months ago
- JAX implementation of the NequIP neural network interatomic potential☆13Updated last month
- Compute neighbor lists for atomistic systems☆58Updated last week
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆20Updated 9 months ago
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆32Updated last year
- Particle-mesh based calculations of long-range interactions in JAX☆19Updated 6 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆19Updated last year
- ☆21Updated last year
- dataset augmentation for atomistic machine learning☆20Updated last month
- Collection of tutorials to use the MACE machine learning force field.☆48Updated 11 months ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- Computing representations for atomistic machine learning☆73Updated 3 weeks ago
- Training Neural Network potentials through customizable routines in JAX.☆43Updated 3 weeks ago
- MESS: Modern Electronic Structure Simulations☆20Updated 11 months ago
- Robust NN MD simulator☆20Updated 2 years ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 5 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆47Updated 2 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆62Updated 2 weeks ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆57Updated this week
- Higher order equivariant graph neural networks for 3D point clouds☆41Updated 2 years ago
- Flow matching for accelerated simulation of atomic transport☆13Updated 6 months ago
- Training and evaluating machine learning models for atomistic systems.☆38Updated this week