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Capability

OpenCADD tool

Query KLIFS data and explore structural cheminformatics in Python; additional structure-analysis modules include early-stage functionality.

Community indexedChemical sciences

Capability details

What this helps you do

Query KLIFS data and explore structural cheminformatics in Python; additional structure-analysis modules include early-stage functionality.

Catalog editorial description

View description sources

editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.

Research classification

Chemical sciences

View discipline evidence

editor · 2026-09-18 — 结构化学信息学与激酶结构数据访问,归化学科学。

Who it is for

An intended audience has not been supplied. Check the original documentation for suitability and prerequisites.

How to use it

Follow upstream guidance and source conditions.

AIPOCH has not verified execution.

Read usage documentation

Inputs

  • 本地或在线KLIFS数据查询条件;其他模块接受相应分子/大分子结构。

Outputs

  • KLIFS查询结果;结构分析/叠合结果依所选模块,未执行。

Resource type

Tool

Execution guidance

community described

Read execution guidance

Access conditions

  • 固定LICENSE和README为MIT;KLIFS数据库与所用结构数据的授权单独核查。
  • README将I/O、口袋分析、结构叠合标为早期开发;不承诺完整成熟。网络数据库可用性和数据再使用权未验证,不将MIT扩展到数据库内容。
  • Community indexing of this software or analysis workflow only. External models, datasets, services and third-party components have separate terms. Installation, scientific accuracy and suitability were not validated.
View usage information sources

Inputs

editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.

Outputs

editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.

Access conditions

editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.

Documentation

editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.

Sources & versions

volkamerlab/opencadd
Reference role
implementation
Last successful public check
2026-09-22T08:38:09.764Z
Latest public check attempt
2026-09-22T08:38:09.764Z · ok
GitHub metrics
Stars 111 · checked · latest attempt 2026-09-22T08:38:09.764Z (ok)
Forks 25 · checked · latest attempt 2026-09-22T08:38:09.764Z (ok)
Latest default-branch commit

57eafc2d4bd1970742773fbd40764fc47dc480e0
Observed 2026-09-22T08:38:09.764Z
Source activity check
fresh · last successful check 2026-09-22T08:38:09.764Z · latest attempt 2026-09-22T08:38:09.764Z (ok)
Source status
Active at last observation
License
MIT
Fixed commit
57eafc2d4bd1970742773fbd40764fc47dc480e0
Reference checked
2026-09-18
Download source at this commit

Default-branch activity is separate from the fixed reference above. Source terms apply. A fixed commit identifies content; it does not establish scientific validity.

Related research

OpenCADDCommunity indexed

Query KLIFS data and explore structural cheminformatics in Python; additional structure-analysis modules include early-stage functionality.

Research discipline Chemical sciencesReusable outputs 1
Chemical sciencesvolkamerlab/opencadd
Added Change observed by
GitHub · volkamerlab/opencaddStars 111Forks 25

Claims & evidence

No maintainer acknowledgement or scientific validation is recorded for this entry. Community indexing only describes its inclusion in this catalog.

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Research questions and code contributions belong with the original project. Catalog corrections can be proposed separately.

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