☆19Mar 14, 2023Updated 3 years ago
Alternatives and similar repositories for torch_nl
Users that are interested in torch_nl are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Sep 19, 2023Updated 3 years ago
- CUDA implementations of MACE models☆22Aug 19, 2025Updated last year
- Compute neighbor lists for atomistic systems☆89Oct 22, 2026Updated 2 weeks ago
- Pure C implementation of e3nn☆26Mar 17, 2025Updated last year
- LES extension package for NequIP☆21Aug 14, 2026Updated 2 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A library to align rigid molecules and clusters☆13Updated this week
- Tools for geometric learning☆12Sep 26, 2025Updated last year
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆110Updated this week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- ☆18Feb 26, 2026Updated 8 months ago
- ☆22May 7, 2025Updated last year
- Tools for building equivariant polynomials on reductive Lie groups.☆39Jun 29, 2023Updated 3 years ago
- Machine learning potentials for modeling alloys across compositions☆13Oct 12, 2026Updated 3 weeks ago
- PyTorch-based auto-differentiable orbital-free density functional theory package☆12Aug 7, 2026Updated 3 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- A Python module implemented in Rust for Phonopy☆11Updated this week
- ☆12Sep 16, 2024Updated 2 years ago
- Multi-language library for the calculation of spherical harmonics in Cartesian coordinates☆105Sep 14, 2026Updated last month
- ☆10Jul 3, 2023Updated 3 years ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆109Jul 2, 2026Updated 4 months ago
- ☆12Jul 18, 2024Updated 2 years ago
- Tutorial and examples for various types of simulations with i-PI and MLIPs☆15Jul 24, 2025Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆50Jun 27, 2023Updated 3 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆21Aug 30, 2022Updated 4 years ago
- ASE calculator wrapper for g-xTB☆28Jul 4, 2025Updated last year
- FLOPS counter for all your GPU benchmarking needs☆13Aug 8, 2024Updated 2 years ago
- Permutation Equivariant Lorentz Invariant/Covariant Aggregator Network☆14Oct 25, 2026Updated last week
- Allegro-pol extends the Allegro architecture to model the electric response of materials☆41May 30, 2026Updated 5 months ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- ☆62Oct 28, 2026Updated last week
- ☆17Jul 23, 2026Updated 3 months ago
- Cartesian Atomic Moment Potentials -- CAMP☆11Jun 18, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- ☆16Oct 1, 2023Updated 3 years ago
- OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.☆172Updated this week
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Oct 30, 2024Updated 2 years ago
- Grain-boundary generator with Atomman☆13Sep 24, 2022Updated 4 years ago
- ☆17Apr 22, 2025Updated last year
- Reversible molecular simulation☆14May 28, 2025Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆31Jun 28, 2026Updated 4 months ago