sirmarcel / glpLinks
tools for graph-based machine-learning potentials in jax
☆26Updated last year
Alternatives and similar repositories for glp
Users that are interested in glp are comparing it to the libraries listed below
Sorting:
- ☆33Updated this week
- Particle-mesh based calculations of long-range interactions in JAX☆23Updated last week
- A flexible and performant framework for training machine learning potentials.☆32Updated this week
- Compute neighbor lists for atomistic systems☆72Updated this week
- Auto-differentiated descriptors using Enzyme☆12Updated 9 months ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- Training Neural Network potentials through customizable routines in JAX.☆60Updated 6 months ago
- ⚛ download and manipulate atomistic datasets☆48Updated 2 months ago
- python workflow toolkit☆43Updated last month
- ☆11Updated last year
- Computing representations for atomistic machine learning☆75Updated last week
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆54Updated this week
- ☆21Updated last year
- Tools for machine learnt interatomic potentials☆42Updated last week
- Equivariant machine learning interatomic potentials in JAX.☆83Updated this week
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Updated last month
- Pretrained model for molecular wavefunctions☆55Updated 2 weeks ago
- Moment Invariants Local Atomic Descriptor☆34Updated last year
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆92Updated this week
- UF3: a python library for generating ultra-fast interatomic potentials☆70Updated 7 months ago
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆29Updated 5 months ago
- dataset augmentation for atomistic machine learning☆22Updated 2 months ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆88Updated last month
- Library for Crystal Symmetry in Rust☆69Updated this week
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆69Updated 3 weeks ago
- ☆15Updated 2 years ago
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated 2 weeks ago
- MESS: Modern Electronic Structure Simulations☆43Updated 4 months ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 9 months ago
- Atomistic machine learning models you can use everywhere for everything☆33Updated last week