lab-cosmo / sphericartLinks
Multi-language library for the calculation of spherical harmonics in Cartesian coordinates
☆87Updated 3 weeks ago
Alternatives and similar repositories for sphericart
Users that are interested in sphericart are comparing it to the libraries listed below
Sorting:
- ☆23Updated last year
- ☆12Updated last year
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆34Updated last year
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆83Updated this week
- Equivariant machine learning interatomic potentials in JAX.☆75Updated 4 months ago
- Pretrained model for molecular wavefunctions☆41Updated last month
- N-Dimensional MD engine with symmetry group constraints written in C☆50Updated last year
- High-performance operations for neural network potentials☆93Updated 6 months ago
- Particle-mesh based calculations of long-range interactions in JAX☆19Updated 7 months ago
- Computing representations for atomistic machine learning☆73Updated last week
- Nequix: Training a foundation model for materials on a budget.☆42Updated 3 weeks ago
- Training Neural Network potentials through customizable routines in JAX.☆46Updated last month
- A library for building equivariant neural networks and a zoo of implementations & examples.☆32Updated 3 years ago
- MESS: Modern Electronic Structure Simulations☆20Updated 11 months ago
- ☆22Updated 4 months ago
- Force-field-enhanced Neural Networks optimized library☆59Updated 3 weeks ago
- MESS: Modern Electronic Structure Simulations☆37Updated 2 weeks ago
- pytorch implementation of dftd2 & dftd3 (not actively maintained)☆83Updated 10 months ago
- Compute neighbor lists for atomistic systems☆59Updated this week
- tools for graph-based machine-learning potentials in jax☆25Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆44Updated 2 years ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 4 months ago
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆35Updated this week
- [TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators☆14Updated 6 months ago
- Efficient And Fully Differentiable Extended Tight-Binding☆103Updated last week
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- ☆18Updated 2 years ago
- Python library for numerical integration, interpolation, and differentiation on (molecular) grids.☆69Updated 2 months ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆60Updated this week
- Training and evaluating machine learning models for atomistic systems.☆43Updated this week