piwheels

mlcalcdriver

A package to drive atomic calculations using machine learned models.

Installation

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

pip3 install mlcalcdriver

Dependencies

• numpy
• torch
• ase
• schnetpack

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
1.4.2	2023-07-27
mlcalcdriver-1.4.2-py3-none-any.whl (44 KB)
1.4.1	2023-06-16
mlcalcdriver-1.4.1-py3-none-any.whl (44 KB)
1.4.0	2022-05-12
mlcalcdriver-1.4.0-py3-none-any.whl (33 KB)
1.3.0	2022-01-13
mlcalcdriver-1.3.0-py3-none-any.whl (28 KB)
1.2.0	2020-07-31
mlcalcdriver-1.2.0-py3-none-any.whl (25 KB)
1.0.0	2020-03-19
mlcalcdriver-1.0.0-py3-none-any.whl (35 KB)
0.3.1	2020-02-10
mlcalcdriver-0.3.1-py3-none-any.whl (34 KB)
0.3.0	2019-12-09
mlcalcdriver-0.3.0-py3-none-any.whl (34 KB)
0.2.3	2019-12-05
mlcalcdriver-0.2.3-py3-none-any.whl (34 KB)
0.2.2	2019-11-19
mlcalcdriver-0.2.2-py3-none-any.whl (34 KB)
0.2.1	2019-11-06
mlcalcdriver-0.2.1-py3-none-any.whl (33 KB)
0.2.0	2019-10-17
mlcalcdriver-0.2.0-py3-none-any.whl (32 KB)
0.1.0	2019-10-15
mlcalcdriver-0.1.0-py3-none-any.whl (27 KB)
0.0.2	2019-10-03
mlcalcdriver-0.0.2-py3-none-any.whl (20 KB)
0.0.1	2019-10-02
mlcalcdriver-0.0.1-py3-none-any.whl (20 KB)

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