sirmarcel / glpLinks
tools for graph-based machine-learning potentials in jax
☆25Updated last year
Alternatives and similar repositories for glp
Users that are interested in glp are comparing it to the libraries listed below
Sorting:
- A flexible and performant framework for training machine learning potentials.☆30Updated this week
- ☆11Updated last year
- Compute neighbor lists for atomistic systems☆60Updated this week
- ☆22Updated this week
- Training Neural Network potentials through customizable routines in JAX.☆49Updated 2 months ago
- Auto-differentiated descriptors using Enzyme☆12Updated 6 months ago
- Particle-mesh based calculations of long-range interactions in JAX☆19Updated this week
- ⚛ download and manipulate atomistic datasets☆47Updated 9 months ago
- Tools for machine learnt interatomic potentials☆38Updated this week
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- Training and evaluating machine learning models for atomistic systems.☆43Updated this week
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆68Updated 2 weeks ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆63Updated this week
- MACE_Osaka24 models☆18Updated 9 months ago
- ☆21Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆49Updated this week
- Library for Crystal Symmetry in Rust☆57Updated this week
- Cross-platform Optimizer for ML Interatomic Potentials☆19Updated last month
- python workflow toolkit☆43Updated 3 weeks ago
- dataset augmentation for atomistic machine learning☆20Updated 3 months ago
- A julia package for the manipulation of crystal net representations and topology☆46Updated last month
- ☆13Updated 2 years ago
- Pretrained model for molecular wavefunctions☆41Updated 2 months ago
- ☆26Updated last month
- ☆17Updated 2 weeks ago
- MESS: Modern Electronic Structure Simulations☆20Updated last year
- MESS: Modern Electronic Structure Simulations☆38Updated last week
- ☆23Updated last year
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆95Updated last month
- Equivariant machine learning interatomic potentials in JAX.☆75Updated 5 months ago