piwheels

torch-sim-atomistic

A pytorch toolkit for calculating material properties using MLIPs

Installation

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

pip3 install torch-sim-atomistic

Dependencies

• tqdm
• h5py
• numpy
• torch
• tables
• nvalchemi-toolkit-ops

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
0.6.0	2026-04-24
torch_sim_atomistic-0.6.0-py3-none-any.whl (248 KB)
0.5.2	2026-02-18
torch_sim_atomistic-0.5.2-py3-none-any.whl (238 KB)
0.5.1	2026-01-29
torch_sim_atomistic-0.5.1-py3-none-any.whl (213 KB)
0.5.0	2025-12-19
torch_sim_atomistic-0.5.0-py3-none-any.whl (206 KB)
0.4.2	2025-12-11
torch_sim_atomistic-0.4.2-py3-none-any.whl (199 KB)
0.4.1	2025-11-23
torch_sim_atomistic-0.4.1-py3-none-any.whl (192 KB)
0.4.0	2025-10-09
torch_sim_atomistic-0.4.0-py3-none-any.whl (189 KB)
0.3.0	2025-08-13
torch_sim_atomistic-0.3.0-py3-none-any.whl (180 KB)
0.2.2	2025-06-10
torch_sim_atomistic-0.2.2-py3-none-any.whl (179 KB)
0.2.1	2025-05-02
torch_sim_atomistic-0.2.1-py3-none-any.whl (192 KB)
0.2.0	2025-04-14
torch_sim_atomistic-0.2.0-py3-none-any.whl (188 KB)
0.1.0	2025-04-03
torch_sim_atomistic-0.1.0-py3-none-any.whl (173 KB)

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