piwheels

mlatom

A Package for AI-enhanced computational chemistry

Installation

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

pip3 install mlatom

Dependencies

• statsmodels
• psutil
• geometric
• torch
• tqdm
• matplotlib
• rmsd
• torchani
• numpy
• h5py
• scipy
• setuptools
• joblib
• fortranformat
• pyh5md
• requests

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
3.25.5	2026-09-12
mlatom-3.25.5-py3-none-any.whl (59 MB)
3.25.4	2026-09-11
mlatom-3.25.4-py3-none-any.whl (59 MB)
3.25.3	2026-09-10
mlatom-3.25.3-py3-none-any.whl (59 MB)
3.25.2	2026-08-20
mlatom-3.25.2-py3-none-any.whl (59 MB)
3.25.1	2026-08-14
mlatom-3.25.1-py3-none-any.whl (59 MB)
3.25.0	2026-08-13
mlatom-3.25.0-py3-none-any.whl (59 MB)
3.24.0	2026-08-03
mlatom-3.24.0-py3-none-any.whl (59 MB)
3.23.5	2026-07-27
mlatom-3.23.5-py3-none-any.whl (59 MB)
3.23.4	2026-07-15
mlatom-3.23.4-py3-none-any.whl (59 MB)
3.23.3	2026-06-27
mlatom-3.23.3-py3-none-any.whl (59 MB)
3.23.2	2026-06-26
mlatom-3.23.2-py3-none-any.whl (59 MB)
3.23.1	2026-06-25
mlatom-3.23.1-py3-none-any.whl (59 MB)
3.23.0	2026-06-15
mlatom-3.23.0-py3-none-any.whl (59 MB)
3.22.0	2026-03-09
mlatom-3.22.0-py3-none-any.whl (59 MB)
3.21.0	2026-02-13
mlatom-3.21.0-py3-none-any.whl (59 MB)
3.20.0	2025-12-26
mlatom-3.20.0-py3-none-any.whl (59 MB)
3.19.1	2025-11-14
mlatom-3.19.1-py3-none-any.whl (59 MB)
3.19.0	2025-10-23
mlatom-3.19.0-py3-none-any.whl (59 MB)
3.18.3	2025-08-19
mlatom-3.18.3-py3-none-any.whl (59 MB)
3.18.2	2025-07-02
mlatom-3.18.2-py3-none-any.whl (58 MB)
3.18.1	2025-06-26
mlatom-3.18.1-py3-none-any.whl (58 MB)
3.18.0	2025-06-09
3.17.3	2025-05-21
3.17.2	2025-04-16
3.17.1	2025-03-26
mlatom-3.17.1-py3-none-any.whl (87 MB)
3.17.0	2025-03-26
mlatom-3.17.0-py3-none-any.whl (87 MB)
3.16.2	2024-12-18
mlatom-3.16.2-py3-none-any.whl (87 MB)
3.16.1	2024-12-11
mlatom-3.16.1-py3-none-any.whl (87 MB)
3.16.0	2024-12-04
mlatom-3.16.0-py3-none-any.whl (87 MB)
3.15.0	2024-11-27
mlatom-3.15.0-py3-none-any.whl (87 MB)
3.14.0	2024-11-20
mlatom-3.14.0-py3-none-any.whl (87 MB)
3.13.0	2024-11-06
mlatom-3.13.0-py3-none-any.whl (87 MB)
3.12.0	2024-10-09
mlatom-3.12.0-py3-none-any.whl (68 MB)
3.11.0	2024-09-23
mlatom-3.11.0-py3-none-any.whl (49 MB)
3.10.1	2024-08-22
mlatom-3.10.1-py3-none-any.whl (49 MB)
3.10.0	2024-08-21
mlatom-3.10.0-py3-none-any.whl (49 MB)
3.9.1	2024-07-25
mlatom-3.9.1-py3-none-any.whl (49 MB)
3.9.0	2024-07-23
mlatom-3.9.0-py3-none-any.whl (49 MB)
3.8.0	2024-07-17
mlatom-3.8.0-py3-none-any.whl (49 MB)
3.7.1	2024-07-04
mlatom-3.7.1-py3-none-any.whl (49 MB)
3.7.0	2024-07-03
mlatom-3.7.0-py3-none-any.whl (49 MB)
3.6.0	2024-05-15
mlatom-3.6.0-py3-none-any.whl (49 MB)
3.5.0	2024-05-08
mlatom-3.5.0-py3-none-any.whl (49 MB)
3.4.0	2024-04-29
mlatom-3.4.0-py3-none-any.whl (49 MB)
3.3.0	2024-04-03
mlatom-3.3.0-py3-none-any.whl (49 MB)
3.2.0	2024-03-19
mlatom-3.2.0-py3-none-any.whl (49 MB)
3.1.1	2024-01-19
mlatom-3.1.1-py3-none-any.whl (49 MB)
3.1.0	2023-12-29
mlatom-3.1.0-py3-none-any.whl (49 MB)
3.0.1	2023-11-13
3.0.0	2023-09-12
mlatom-3.0.0-py3-none-any.whl (49 MB)
2.3.3	2022-12-15
MLatom-2.3.3-py3-none-any.whl (48 MB)
2.3.2	2022-10-19
MLatom-2.3.2-py3-none-any.whl (47 MB)
2.3.1	2022-10-19
MLatom-2.3.1-py3-none-any.whl (47 MB)
2.3	2022-10-19
MLatom-2.3-py3-none-any.whl (47 MB)
2.2.1	2022-10-18
MLatom-2.2.1-py3-none-any.whl (47 MB)
2.2	2022-04-18
MLatom-2.2-py3-none-any.whl (47 MB)
2.1.3	2022-04-18
MLatom-2.1.3-py3-none-any.whl (47 MB)
2.1.2	2022-04-18
MLatom-2.1.2-py3-none-any.whl (6 MB)
2.1.0	2021-12-02
MLatom-2.1.0-py3-none-any.whl (6 MB)
2.0.5	2021-12-02
MLatom-2.0.5-py3-none-any.whl (6 MB)
2.0.4	2021-10-05
MLatom-2.0.4-py3-none-any.whl (6 MB)
2.0.3	2021-09-10
MLatom-2.0.3-py3-none-any.whl (10 KB)
2.0.2	2021-09-10
MLatom-2.0.2-py3-none-any.whl (10 KB)
2.0.1	2021-06-09
MLatom-2.0.1-py3-none-any.whl (6 MB)
2.0.0	2021-06-09
MLatom-2.0.0-py3-none-any.whl (6 MB)
1.2.3	2021-03-01
MLatom-1.2.3-py3-none-any.whl (5 MB)
1.2.2	2021-02-25
MLatom-1.2.2-py3-none-any.whl (5 MB)
1.2.1	2021-02-25
MLatom-1.2.1-py3-none-any.whl (5 MB)

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