17 dependents
Package Description Downloads/month
Differentiable, Hardware Accelerated, Molecular Dynamics 95K
[ICML'26] Phonon fine-tuning (PFT) and [NeurIPS'25 AI4Mat] Nequix: Training a fo... 85K
JAX implementation of the Skala neural exchange-correlation functional 1K
Library for efficient training and application of Machine Learning Interatomic P... 894
Fully-Differentiable Tensor Spherical Harmonics in JAX 536
Fully-differentiable tensor spherical harmonics in JAX 504
Library for machine learning on physical tensors 419
LagrangeBench: A Lagrangian Fluid Mechanics Benchmarking Suite 222
Library for machine learning on physical tensors 148
Library for machine learning on physical tensors 139
Training Pipeline Library 100
Protein+Ligand Accelerated Simulation 98
Accelerated Protein Dynamics Simulation 95
Protein Autoencoding 92
Protein Accelerated Latent Simulation 77
Training Pipeline Library 60
JAX implementation of the NequIP neural network interatomic potential 56