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EquiBind - AI Drug Discovery | aibioatlas | aibioatlas

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EquiBind Scientific Architecture

EquiBind Scientific Architecture · EquiBind authors

AI Drug Discovery · Molecular Docking

EquiBind

开发机构 EquiBind authors →

Geometric deep-learning prediction of ligand binding poses

Geometric deep-learning prediction of ligand binding poses. Assess steric plausibility and target-specific performance before using poses downstream.

Geometric deep-learning prediction of ligand binding posesInput: Protein and small-molecule structuresOutput: Predicted bound ligand coordinates

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概览介绍

Geometric deep-learning prediction of ligand binding poses. Assess steric plausibility and target-specific performance before using poses downstream.

信息已比对权威文献或官方白皮书；非实验性跑分。权威出处 · 最后核对: 16/09/2026, 17:33:40 UTC

核心功能特性

Geometric deep-learning prediction of ligand binding poses
Input: Protein and small-molecule structures
Output: Predicted bound ligand coordinates

Interactive 3D Illustration

Biological Architecture (Stylized Ribbon)

Default view is a stylized demonstration ribbon. Enter any 4-letter RCSB PDB accession code above to stream real atomic coordinates.

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Illustrative Confidence Gradient:

>90 High / Low B 70-90 Confident 50-70 Low <50 Very low / High B

Academic Context & Research Evidence

Biological & Workflow Fit

Compute & Hardware: Consult linked installation guidance; workload dependent
Licensing & Academic Use: Review the linked release, model weights, datasets and service terms separately
Documented Evidence: Project or provider documentation; no local performance benchmark

Cite this Tool

Use this citation format when referencing EquiBind in scientific publications and benchmark papers.

@software{equibind_2026,
  title = {{EquiBind}},
  author = {{EquiBind authors}},
  year = {2026},
  url = {https://github.com/HannesStark/EquiBind},
  note = {Indexed on aibioatlas - AI for Biology and Drug Discovery}
}

Peer-Reviewed Literature & Preprints

Live scientific citations queried from Europe PMC and PubMed for EquiBind.

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技术参数与产品规格

Missing values mean the catalog has no recorded information. They do not mean a feature is absent.

Entry typeResearch software / model

Access modePublic code / project terms

AI roleScientific machine learning

Input dataProtein and small-molecule structures

Output dataPredicted bound ligand coordinates

Licence conditionsReview the linked release, model weights, datasets and service terms separately

Commercial eligibilityNot independently confirmed

Compute requirementsConsult linked installation guidance; workload dependent

ValidationEvaluate on representative data; no clinical suitability established

TypeNot recorded

Intended useBiological and pharmaceutical research

CompatibilityNot recorded

LimitationsAssess steric plausibility and target-specific performance before using poses downstream.

Evidence levelProject or provider documentation; no local performance benchmark

AvailabilitySee project access and maintenance status

Price / accessSee project terms; compute costs may apply

Research fit & compatibility

No software–hardware integration has been verified for this entry yet. Explore documented research workflows.

Gallery & resources

EquiBind Scientific Architecture

EquiBind Scientific Architecture · Credit: EquiBind authors · Open original ↗

Research and editorial use Source & attribution ↗ License ↗

Resource: Project documentation and evidence ↗ · github.com

BEFORE YOU CHOOSE

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DiffPharma

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DiffPharma

Research AI model / method · Research code or publication

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GitHub ↗学术论文 ↗

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DiffSBDD

AI Drug Discovery

Research AI Methods

DiffSBDD

Source-scoped research method · Confirm distribution and exact release

DiffSBDD — structure-conditioned-molecular-generation

Research / method authors

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常见问题解答

该工具在哪些平台或地区可用？

See project access and maintenance status

商业授权与费用如何计算？

费用根据官方最近一次公布的说明整理。请在官方网站确认最新报价与学术折扣。

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