20 dependents
| Package | Description | Downloads/month |
|---|---|---|
| SevenNet - a graph neural network interatomic potential package supporting effic... | 445K | |
| NequIP is a code for building E(3)-equivariant interatomic potentials | 371K | |
| [ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a fo... | 85K | |
| MACE - Fast and accurate machine learning interatomic potentials with higher ord... | 69K | |
| SchNetPack - Deep Neural Networks for Atomistic Systems | 33K | |
| TUI tool for rapid crystal structure prediction using MLIPs | 12K | |
| Package for creating and optimizing lattice matched and domain matched epitaxial... | 4K | |
| GRACE models and gracemaker (as implemented in TensorPotential package) | 3K | |
| MDI engine drivers for LAMMPS — MACE and other ML forcefields via MolSSI Driver ... | 3K | |
| Library for efficient training and application of Machine Learning Interatomic P... | 894 | |
| Official implementation of MatterGen -- a generative model for inorganic materia... | 425 | |
| OneScience是基于先进的深度学习框架打造的科学计算工具包，旨在通过一系列高度集成的组件加速科学研究和技术开发进程。 | 388 | |
| Tensor Atomic Cluster Expansion | 312 | |
| A torch implementation of the neighbor lists. | 241 | |
| JAX-SPH: Smoothed Particle Hydrodynamics in JAX | 236 | |
| LagrangeBench: A Lagrangian Fluid Mechanics Benchmarking Suite | 222 | |
| Atomistic Modelling and Simulation tools for material properties by AMS departme... | 219 | |
| GPU-accelerated MACE inference on Apple Silicon via MLX | 198 | |
| MatterGen is a generative model for inorganic materials design across the period... | 155 | |
| 113 |
