tools for graph-based machine-learning potentials in jax
☆27Apr 9, 2024Updated 2 years ago
Alternatives and similar repositories for glp
Users that are interested in glp are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Particle-mesh based calculations of long-range interactions in JAX☆28Updated this week
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 4 years ago
- SOAP (Smooth Overlap of Atomic Positions) implementation with numpy☆11May 11, 2018Updated 8 years ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆215Apr 17, 2026Updated last month
- ☆23Mar 18, 2024Updated 2 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"☆14Jul 2, 2023Updated 2 years ago
- Build neural networks for machine learning force fields with JAX☆136Jun 2, 2025Updated 11 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆122Apr 22, 2026Updated last month
- Compute neighbor lists for atomistic systems☆79May 15, 2026Updated last week
- Library for efficient training and application of Machine Learning Interatomic Potentials (MLIP)☆96Apr 2, 2026Updated last month
- Reproduction of CGCNN for predicting material properties☆27May 7, 2026Updated 2 weeks ago
- Machine Learned Interatomic Potential Tools☆25Updated this week
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆53May 4, 2026Updated 2 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆100Apr 16, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Calculation framework☆13Jan 20, 2026Updated 4 months ago
- A flexible and performant framework for training machine learning potentials.☆36May 6, 2026Updated 2 weeks ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆35Apr 7, 2026Updated last month
- Implementation of the Euclidean fast attention (EFA) algorithm☆97Jan 7, 2026Updated 4 months ago
- ☆40May 8, 2026Updated 2 weeks ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18May 11, 2026Updated last week
- Point Edge Transformer☆34Sep 28, 2025Updated 7 months ago
- MACE_Osaka24 models☆27Apr 15, 2026Updated last month
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆13Nov 2, 2024Updated last year
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆112Feb 13, 2024Updated 2 years ago
- CUDA implementations of MACE models☆23Aug 19, 2025Updated 9 months ago
- tools for machine learning in condensed matter physics and quantum chemistry☆33Apr 1, 2022Updated 4 years ago
- Tutorial exercises for the OPTIMADE API☆17Sep 27, 2023Updated 2 years ago
- UF3: a python library for generating ultra-fast interatomic potentials☆71Feb 26, 2026Updated 2 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆41Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆60Apr 1, 2026Updated last month
- python workflow toolkit☆43Dec 23, 2025Updated 5 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- C++ Library for Electrostatics☆20Sep 19, 2025Updated 8 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- ☆11Sep 16, 2024Updated last year
- Particle-mesh based calculations of long-range interactions in PyTorch☆79May 3, 2026Updated 2 weeks ago
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆25Oct 27, 2023Updated 2 years ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 7 months ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated 3 months ago