Multi-language library for the calculation of spherical harmonics in Cartesian coordinates
☆103Jul 9, 2026Updated last month
Alternatives and similar repositories for sphericart
Users that are interested in sphericart are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆107Updated this week
- ☆12Oct 10, 2023Updated 2 years ago
- Computing representations for atomistic machine learning☆82Jul 22, 2026Updated 3 weeks ago
- Compute neighbor lists for atomistic systems☆85Aug 7, 2026Updated last week
- C++/CUDA library for SO(3) equivariant operations☆26Oct 21, 2025Updated 9 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.
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆77Updated this week
- CUDA implementations of MACE models☆22Aug 19, 2025Updated 11 months ago
- Auto-differentiated descriptors using Enzyme☆12Apr 2, 2025Updated last year
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆54Updated this week
- Point Edge Transformer☆35Sep 28, 2025Updated 10 months ago
- Tools for geometric learning☆12Sep 26, 2025Updated 10 months ago
- ☆25Nov 1, 2023Updated 2 years ago
- ☆112Jun 5, 2026Updated 2 months ago
- Particle-mesh based calculations of long-range interactions in JAX☆30Updated this week
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A Julian toolkit for solid-state chemical theory.☆33Nov 11, 2025Updated 9 months ago
- Universal machine-learning models for advanced atomistic simulations☆228Updated this week
- An implementation of SchNet in JAX and JAX-MD.☆17Apr 5, 2022Updated 4 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆49Jun 27, 2023Updated 3 years ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆74Nov 2, 2024Updated last year
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆125Jul 30, 2026Updated 2 weeks ago
- Build neural networks for machine learning force fields with JAX☆137Jun 2, 2025Updated last year
- ☆11Sep 16, 2024Updated last year
- A scalable and versatile library to generate representations for atomic-scale learning☆83Jan 11, 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.
- High-performance operations for neural network potentials☆102Jun 9, 2026Updated 2 months ago
- [TMLR 2023] Training and simulating MD with ML force fields☆115Oct 30, 2024Updated last year
- ☆22May 7, 2025Updated last year
- jax library for E3 Equivariant Neural Networks☆233Apr 1, 2026Updated 4 months ago
- An interactive structure/property explorer for materials and molecules☆183Updated this week
- ☆13May 10, 2024Updated 2 years ago
- ☆19Mar 14, 2023Updated 3 years ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 5 months ago
- A set of utilities and pedagogic notebooks for the use of linear and kernel methods in atomistic modeling☆26Oct 27, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- tools for graph-based machine-learning potentials in jax☆27Apr 9, 2024Updated 2 years ago
- A collection of QM data for training potential functions☆200Feb 25, 2026Updated 5 months ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆81Aug 3, 2026Updated last week
- Tools for building equivariant polynomials on reductive Lie groups.☆38Jun 29, 2023Updated 3 years ago
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆17Nov 20, 2025Updated 8 months ago
- The TurboGAP code☆21Updated this week
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆288Feb 11, 2025Updated last year