Xpersona
agentCLAWHUBUnverified

Virtual Screening

Virtual screening workflows for open and proprietary chemical libraries, including transformer-based screening and docking-based screening through SciMiner.

OpenClaw
View on ClawHubHomepage

Rank

62

Safety

84

Downloads

1.2k

Updated

Oct 10, 2026

Version

1.0.7

Source

CLAWHUB

About

What it does, and when to use it.

Capability contract not published. No trust telemetry is available yet. 1.2K downloads reported by the source. Last updated 10/10/2026.

Avoid when

  • Contract metadata is missing or unavailable for deterministic execution.

Risk flags: missing_or_unavailable_contract, trust_data_unavailable, schema_references_missing

Public facts

Every fact links back to the source it came from.

Vendor
Clawhubvendor · observed Oct 10, 2026
Protocol compatibility
OpenClawcompatibility · observed Oct 10, 2026
Adoption signal
1.2K downloadsadoption · observed Oct 10, 2026
Latest release
1.0.7release · observed Jun 27, 2026
Handshake status
UNKNOWNsecurity

Install and run

Setup complexity: low.

clawhub skill install s170qp1q4twz35wa85ppa8894h83w461:virtual-screening
  1. Install using `clawhub skill install s170qp1q4twz35wa85ppa8894h83w461:virtual-screening` in an isolated environment before connecting it to live workloads.
  2. No published capability contract is available yet, so validate auth and request/response behavior manually.
  3. Review the upstream CLAWHUB listing at https://clawhub.ai/sciminer/virtual-screening before using production credentials.

Contract: missing

curl -s "https://www.xpersona.co/api/v1/agents/clawhub-sciminer-virtual-screening/snapshot"

Documentation

CLAWHUB

77,751 characters of source documentation, loaded on request.

Extracted files

3 files captured from the source.

SKILL.md

---
name: virtual-screening
description: Virtual screening workflows for open and proprietary chemical libraries, including transformer-based screening and docking-based screening through SciMiner.
credential_files:
   - ~/.config/sciminer/credentials.json
---

# Virtual Screening Skill

This skill groups end-to-end virtual screening workflows, including:

- transformer-based proprietary library virtual screening
- docking-based proprietary library virtual screening
- transformer-based open library virtual screening
- docking-based open library virtual screening

All four screening tools include pre-set compound libraries, so no additional downloading or preparation is needed for standard runs. Users may also provide their own compound libraries.

If users have special compound-library requirements, such as screening compounds containing acrylamide, they can first use `OpenData_api_doc.md` from `https://sciminer.tech/tool_api_files/` to download the corresponding molecular library, filter it, and then import the curated library into the screening tool.

## When to use this skill

- Screen proprietary or open chemical libraries against a protein target
- Start from a protein sequence and rank likely binders with transformer-based screening
- Start from a receptor structure and run docking-based screening with explicit docking box setup

## Method selection rule

- If a protein structure file or PDB ID is provided, use `Docking-Based Open Library Virtual Screen`.
- If no protein structure file or PDB ID is provided, use `Transformer-Based Open Library Virtual Screen`.
- If you need the legacy proprietary screening paths, use `Docking-Based Proprietary Library Virtual Screen` or `Transformer-Based Proprietary Library Virtual Screen`.

## Prerequisites

1. Obtain a free SciMiner API key from `https://sciminer.tech/utility`.
2. Store it outside this repository at `~/.config/sciminer/credentials.json` with JSON shaped as `{"api_key":"your_api_key_here"}`.
3. For SciMiner calls, read the API key from `~/.config/sciminer/credentials.json` and send it as the `X-Auth-Token` header.
4. Never print, persist, or store the API key in prompts, logs, or repository files. Agents should remember only the credential file path.

If `~/.config/sciminer/credentials.json` is not available or does not contain an `api_key` field, stop and tell the user to obtain a free SciMiner API key from `https://sciminer.tech/utility` and store it in that file. Do not try to complete the task by switching to other tools or services.

## Authoritative tool-doc source (required)

The published Markdown files under `https://sciminer.tech/tool_api_files/` are
the single source of truth for `provider_name`, `tool_name`, allowed
`parameters`, file-upload behavior, request encoding, and the example
submission flow for this skill's included tools.

Use these SciMiner Markdown docs:

- `Transformer-Based Proprietary Library Virtual Screen` ->

_meta.json

{
  "ownerId": "kn725br751g8y5tkj1h6d2krf58356et",
  "slug": "virtual-screening",
  "version": "1.0.7",
  "publishedAt": 1782537400275
}

skill-card.md

## Description:

Virtual screening workflows for open and proprietary chemical libraries, including transformer-based screening and docking-based screening through SciMiner.

This skill is ready for commercial/non-commercial use.

## Publisher:

[sciminer](https://clawhub.ai/user/sciminer)

### License/Terms of Use:

MIT-0

## Use Case:

Developers and researchers use this skill to choose and run SciMiner virtual-screening workflows for protein targets, using transformer-based screening from protein sequences or docking-based screening from receptor structures.

### Deployment Geography for Use:

Global

## Known Risks and Mitigations:

Risk: The agent reads a SciMiner API key and uploads screening inputs to SciMiner.

Mitigation: Use a scoped SciMiner API key, keep it outside the repository, never print or persist it, and review which input files will be uploaded before invocation.

Risk: The skill relies on SciMiner-hosted Markdown that can change after review.

Mitigation: Review the selected remote API documentation before each run, or prefer a release that pins and validates the request-building documentation locally.

## Reference(s):

- [SciMiner tool API files](https://sciminer.tech/tool_api_files/)
- [SciMiner API key utility](https://sciminer.tech/utility)
- [Virtual Screening on ClawHub](https://clawhub.ai/sciminer/skills/virtual-screening)

## Skill Output:

**Output Type(s):** [guidance, shell commands, code, configuration, markdown]

**Output Format:** [Markdown with JSON snippets and runnable invocation guidance]

**Output Parameters:** [1D]

**Other Properties Related to Output:** [Returns SciMiner task status, task_id, result data, and share_url when a screening task succeeds.]

## Skill Version(s):

1.0.7 (source: server release metadata)

## Ethical Considerations:

Users should evaluate whether this skill is appropriate for their environment, review any generated or modified files before relying on them, and apply their organization's safety, security, and compliance requirements before deployment.

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Machine-readable data

The same record, as JSON, for agents and crawlers.

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}

Record generated Oct 11, 2026.

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