drug-discovery

drug-discovery is a skill for Claude Code, Codex from beita6969/ScienceClaw. It costs 52 tokens per session (845 once invoked), scanned A, original, MIT.

A guide for drug-discovery work, from finding biological targets and screening compounds to predicting drug properties and studying how medicines behave in the body.

In plain words
What is it for?
Use it for target identification, virtual screening, toxicity and absorption checks, lead optimization, pharmacokinetics, or drug repurposing.
Why use it?
It organizes specialized pharmaceutical tasks and explains the common methods used to evaluate possible drug candidates.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it for target identification, virtual screening, toxicity and absorption checks, lead optimization, pharmacokinetics, or drug repurposing.

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Install with agentmods
npx agentmods add skills/beita6969/scienceclaw/drug-discovery
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 beita6969/ScienceClaw --skill drug-discovery
Clone the repo
git clone --depth 1 https://github.com/beita6969/ScienceClaw

Made for: Claude Code, Codex.

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.

agentmods badge for drug-discovery

README.md
[![agentmods](https://agentmods.dev/badge/skills/beita6969/scienceclaw/drug-discovery/github.svg)](https://agentmods.dev/skills/beita6969/scienceclaw/drug-discovery)
Your own site
<a href="https://agentmods.dev/skills/beita6969/scienceclaw/drug-discovery"><img src="https://agentmods.dev/badge/skills/beita6969/scienceclaw/drug-discovery/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.

agentmods 80×15 button for drug-discovery

Your own site · 80×15
<a href="https://agentmods.dev/skills/beita6969/scienceclaw/drug-discovery"><img src="https://agentmods.dev/badge/skills/beita6969/scienceclaw/drug-discovery.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 845 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. Third-party audits
  • NVIDIA SkillSpector pass 7 Sept 2026
How audits are shown
Origin original 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.

ModelPer sessionOnce invoked
Fable 5.1 $0.00052 $0.00845
Opus 5 $0.00026 $0.00423
Sonnet 5 $0.00010 $0.00169
Haiku 4.5 $0.00005 $0.00085

Measured 8d ago against content hash c7da68601444, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-11, from the pricing page.

Security

Grade A, and why

drug-discovery 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 8d ago.

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.

skills/drug-discovery/SKILL.md · 55 lines

How it starts

The opening of the file, as written. The whole thing — 55 lines — stays where its author put it; the contents beside it link to each section on GitHub.

When to Trigger

Activate this skill when the user mentions:

  • Drug target identification, druggability assessment
  • Virtual screening, molecular docking, pharmacophore
  • ADMET (absorption, distribution, metabolism, excretion, toxicity)
  • Lead optimization, SAR (structure-activity relationship)
  • Pharmacokinetics (PK), pharmacodynamics (PD), PK/PD modeling
  • Drug repurposing, off-label, drug-disease associations
  • SMILES, InChI, compound libraries, chemical fingerprints
  • IC50, EC50, Ki, dose-response curves

Step-by-Step Methodology

  1. Target identification and validation - Identify therapeutic target from literature, GWAS hits, or omics data. Assess druggability using Open Targets, DGIdb, or structural pocket analysis. Confirm target-disease association strength.
  2. Compound sourcing - Search ChEMBL, PubChem, ZINC, or DrugBank for known active compounds. For novel scaffolds, consider de novo design tools (REINVENT, MolGPT).
  3. Virtual screening - Structure-based: dock compound library against target (AutoDock Vina, Glide). Ligand-based: use pharmacophore models or molecular fingerprint similarity. Filter by drug-likeness (Lipinski Ro5, Veber rules).
  4. ADMET prediction - Predict absorption (Caco-2 permeability, logP), distribution (plasma protein binding, Vd), metabolism (CYP inhibition/induction), excretion (clearance), and toxicity (hERG, hepatotoxicity, AMES mutagenicity). Use SwissADME, pkCSM, or ADMETlab.
  5. Lead optimization - Analyze SAR from dose-response data. Identify key pharmacophoric features. Suggest modifications to improve potency, selectivity, or ADMET profile while maintaining drug-likeness.
  6. PK/PD modeling - Build compartmental PK models. Estimate key parameters: Cmax, Tmax, AUC, half-life, bioavailability. For PD, model dose-response (Emax model, Hill equation).
  7. Drug repurposing analysis - Query drug-gene interaction databases. Analyze shared pathways between drug targets and disease mechanisms. Check clinical trial databases for existing evidence.

Read the full file on GitHub · 55 lines

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.

  1. 8d ago First seen · 55 lines · 52 tokens per session scan A c7da68601444

Subscribe to this mod's changes

drug-discovery is a skill published in the GitHub repository beita6969/ScienceClaw (898 stars, last pushed 3mo ago), licensed MIT. It adds 52 tokens to every session and 845 once invoked, about $0.0003 per session on Opus 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 2026-09-03.

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