piwheels

acellera-htmd

High throughput molecular dynamics (HTMD)

Installation

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

pip3 install acellera-htmd

Dependencies

• tqdm
• networkx
• natsort
• pandas
• h5py
• moleculekit
• parmed
• deeptime
• ambertools-unofficial
• scipy
• joblib
• jobqueues
• numpy
• protocolinterface
• scikit-learn
• pint
• matplotlib

Releases

Version	Released	Bullseye Python 3.9	Bookworm Python 3.11	Trixie Python 3.13	Files
2.7.1	2026-05-07
acellera_htmd-2.7.1-py3-none-any.whl (4 MB)
2.7.0	2026-05-04
acellera_htmd-2.7.0-py3-none-any.whl (4 MB)
2.6.5	2026-04-23
acellera_htmd-2.6.5-py3-none-any.whl (4 MB)
2.6.4	2026-04-22
acellera_htmd-2.6.4-py3-none-any.whl (4 MB)
2.6.3	2026-04-22
acellera_htmd-2.6.3-py3-none-any.whl (4 MB)
2.6.2	2026-04-22
acellera_htmd-2.6.2-py3-none-any.whl (4 MB)
2.6.1	2026-04-13
acellera_htmd-2.6.1-py3-none-any.whl (4 MB)
2.6.0	2026-04-08
acellera_htmd-2.6.0-py3-none-any.whl (4 MB)
2.5.9	2026-03-26
acellera_htmd-2.5.9-py3-none-any.whl (4 MB)
2.5.8	2026-03-04
acellera_htmd-2.5.8-py3-none-any.whl (4 MB)
1.23.6	2020-12-16
acellera_htmd-0-py3-none-any.whl (949 KB)
1.23.5	2020-10-20
1.23.4	2020-10-19
1.23.2	2020-09-29

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