What is virtual-screening?

A computational method for testing many chemical compounds against a protein target to estimate how well they may bind. It is used in early drug discovery before laboratory testing.

Screening compounds against proteins, estimating binding strength, and finding possible starting points for new medicines.

It helps narrow a large compound library to candidates worth investigating, reducing manual screening work.

virtual-screening — Skill for Claude Code by huifer

Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent

npx skills add huifer/drug-discovery-skills --skill virtual-screening

Clone the repo

git clone --depth 1 https://github.com/huifer/drug-discovery-skills

Made for: Claude Code.

Or install drug-discovery-intelligence, the plugin that ships this one along with the rest of its 17 skills.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

README.md

[![agentmods](https://agentmods.dev/badge/skills/huifer/drug-discovery-skills/virtual-screening/github.svg)](https://agentmods.dev/skills/huifer/drug-discovery-skills/virtual-screening)

Your own site

<a href="https://agentmods.dev/skills/huifer/drug-discovery-skills/virtual-screening"><img src="https://agentmods.dev/badge/skills/huifer/drug-discovery-skills/virtual-screening/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

Your own site · 80×15

<a href="https://agentmods.dev/skills/huifer/drug-discovery-skills/virtual-screening"><img src="https://agentmods.dev/badge/skills/huifer/drug-discovery-skills/virtual-screening.svg" alt="Reviewed on agentmods" width="80" height="20"></a>

Per session 52 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.

When invoked 1,517 The whole file, excluding the scripts and references it only reads on demand.

Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.

Origin unknown No closer match found in the catalogue.

Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

Model	Per session	Once invoked
Fable 5.1	$0.00052	$0.01517
Opus 5.5	$0.00021	$0.00607
Sonnet 5.5	$0.00010	$0.00303
Haiku 4.5	$0.00005	$0.00152

Measured 2mo ago against content hash e5db55d2ab2e, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

virtual-screening scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 2mo ago.

The scan reads SKILL.md. This mod also ships 1 executable file (scripts/virtual_screening.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

.claude/skills/drug-discovery/virtual-screening/SKILL.md · 219 lines

The source is not reproduced here

No licence file

Read it on GitHub

Files

What ships with it

3 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

2mo ago First seen · 219 lines · 52 tokens per session scan A e5db55d2ab2e

Subscribe to this mod's changes

virtual-screening is a skill published in the GitHub repository huifer/drug-discovery-skills (22 stars, last pushed 10mo ago), with no licence file. It adds 52 tokens to every session and 1,517 once invoked, about $0.0002 per session on Opus 5.5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

Drug Design Scientific claude claudecode computational-chemistry docking drug-discovery molecular-modeling screening

virtual-screening next to 6 skills from other repositories
Mod	Type	Stars	Last push	Licence	Scan	Tokens	Works with
virtual-screeninghuifer/drug-discovery-skills	Skill	22	10mo ago	none	A	52	Claude Code
structure-based-drug-designawslabs/hcls-agent-skills	Skill	72	1mo ago	MIT-0	A	150	Claude Code, Codex
drug-designsynthetic-sciences/openscience	Skill	4.3k	2d ago	Apache-2.0	A	44	Claude Code, Codex
target-based-lead-designPharMolix/OpenBioMed	Skill	1.1k	3mo ago	MIT	A	99	Claude Code, Codex
chem-toolsDrugClaw/DrugClaw	Skill	88	7mo ago	Apache-2.0	A	65	Claude Code, Codex
docking-toolsDrugClaw/DrugClaw	Skill	88	7mo ago	Apache-2.0	A	27	Claude Code, Codex
bio-toolsDrugClaw/DrugClaw	Skill	88	7mo ago	Apache-2.0	A	22	Claude Code, Codex