piwheels

posebusters

PoseBusters: Plausibility checks for generated molecule poses.

Installation

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

pip3 install posebusters

Dependencies

• pyyaml
• numpy
• pandas
• rdkit

Releases

Version	Released	Bookworm Python 3.11	Trixie Python 3.13	Files
0.6.5	2026-03-07
posebusters-0.6.5-py3-none-any.whl (554 KB)
0.6.4	2026-02-09
posebusters-0.6.4-py3-none-any.whl (555 KB)
0.6.3	2025-12-05
posebusters-0.6.3-py3-none-any.whl (554 KB)
0.6.2	2025-11-30
posebusters-0.6.2-py3-none-any.whl (554 KB)
0.6.1	2025-11-29
posebusters-0.6.1-py3-none-any.whl (554 KB)
0.6.0	2025-11-12
posebusters-0.6.0-py3-none-any.whl (554 KB)
0.5.1	2025-10-15
posebusters-0.5.1-py3-none-any.whl (554 KB)
0.5.0	2025-09-01
posebusters-0.5.0-py3-none-any.whl (554 KB)
0.4.6	2025-08-06
0.4.5	2025-07-13
0.4.4	2025-05-08
0.4.3	2025-05-07
0.4.2	2025-05-07
0.4.1	2025-04-16
0.3.7	2025-04-05
0.3.6	2025-03-22
posebusters-0.3.6-py3-none-any.whl (541 KB)
0.3.5	2025-03-17
posebusters-0.3.5-py3-none-any.whl (541 KB)
0.3.4	2025-03-13
posebusters-0.3.4-py3-none-any.whl (541 KB)
0.3.3	2025-03-04
posebusters-0.3.3-py3-none-any.whl (540 KB)
0.3.2	2025-02-26
posebusters-0.3.2-py3-none-any.whl (540 KB)
0.3.1	2024-08-13
posebusters-0.3.1-py3-none-any.whl (540 KB)
0.2.16	2024-07-10
posebusters-0.2.16-py3-none-any.whl (539 KB)
0.2.15	2024-07-10
posebusters-0.2.15-py3-none-any.whl (539 KB)
0.2.14	2024-06-10
posebusters-0.2.14-py3-none-any.whl (538 KB)
0.2.13	2024-05-22
posebusters-0.2.13-py3-none-any.whl (538 KB)
0.2.12	2024-03-19
posebusters-0.2.12-py3-none-any.whl (538 KB)
0.2.11	2024-03-15
posebusters-0.2.11-py3-none-any.whl (538 KB)
0.2.10	2024-02-20
posebusters-0.2.10-py3-none-any.whl (538 KB)
0.2.9	2023-12-08
posebusters-0.2.9-py3-none-any.whl (534 KB)
0.2.8	2023-11-21
posebusters-0.2.8-py3-none-any.whl (534 KB)
0.2.7	2023-10-18
posebusters-0.2.7-py3-none-any.whl (534 KB)
0.2.6	2023-09-22
posebusters-0.2.6-py3-none-any.whl (534 KB)
0.2.5	2023-09-06
posebusters-0.2.5-py3-none-any.whl (534 KB)
0.2.4	2023-08-25
posebusters-0.2.4-py3-none-any.whl (534 KB)
0.2.3	2023-08-24
posebusters-0.2.3-py3-none-any.whl (533 KB)
0.2.2	2023-08-12
posebusters-0.2.2-py3-none-any.whl (532 KB)

Issues with this package?

• Search issues for this package
• Package or version missing? Open a new issue
• Something else? Open a new issue