piwheels

mlip

Machine Learning Interatomic Potentials in JAX

Installation

In a virtualenv (see these instructions if you need to create one):

pip3 install mlip

Dependencies

• h5py
• matscipy
• ase
• roundmantissa
• pydantic
• dm-haiku
• e3nn-jax
• jaxlib
• dm-tree
• flax
• jraph
• numpy
• orbax
• omegaconf
• orbax-checkpoint
• tdqm
• tqdm-loggable
• jax

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
0.1.4	2025-10-09
mlip-0.1.4-py3-none-any.whl (161 KB)
0.1.3	2025-08-14
mlip-0.1.3-py3-none-any.whl (160 KB)
0.1.2	2025-07-04
mlip-0.1.2-py3-none-any.whl (159 KB)
0.1.1	2025-06-06
mlip-0.1.1-py3-none-any.whl (157 KB)
0.1.0	2025-05-28
mlip-0.1.0-py3-none-any.whl (157 KB)
0.0.1a5 pre-release	2025-05-28
mlip-0.0.1a5-py3-none-any.whl (156 KB)
0.0.1a4 pre-release	2025-05-19
mlip-0.0.1a4-py3-none-any.whl (156 KB)
0.0.1a3 pre-release	2025-05-19
mlip-0.0.1a3-py3-none-any.whl (156 KB)

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