teddykoker / nequip-eqxLinks
JAX implementation of the NequIP neural network interatomic potential
☆11Updated last month
Alternatives and similar repositories for nequip-eqx
Users that are interested in nequip-eqx are comparing it to the libraries listed below
Sorting:
- ☆22Updated 2 months ago
- ☆21Updated 2 weeks ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆11Updated 2 weeks ago
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning☆13Updated 2 months ago
- ☆18Updated last month
- CUDA implementations of MACE models☆15Updated 5 months ago
- MESS: Modern Electronic Structure Simulations☆32Updated last week
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 8 months ago
- Alchemical machine learning interatomic potentials☆29Updated 8 months ago
- ☆21Updated last year
- Atomistic machine learning models you can use everywhere for everything☆15Updated this week
- Reproduction of CGCNN for predicting material properties☆21Updated this week
- Compute neighbor lists for atomistic systems☆53Updated this week
- ☆26Updated this week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆37Updated last week
- Tools for machine learnt interatomic potentials☆33Updated last week
- ☆19Updated 2 weeks ago
- Equivariant machine learning interatomic potentials in JAX.☆73Updated 2 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆58Updated this week
- dataset augmentation for atomistic machine learning☆19Updated 2 weeks ago
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆25Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated 11 months ago
- materials science related animations☆11Updated 6 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆45Updated 3 weeks ago
- Particle-mesh based calculations of long-range interactions in JAX☆17Updated 5 months ago
- MACE_Osaka24 models☆15Updated 6 months ago
- ☆27Updated 3 weeks ago
- MESS: Modern Electronic Structure Simulations☆20Updated 9 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆33Updated 2 months ago
- tools for graph-based machine-learning potentials in jax☆25Updated last year