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PharmaClaw Pharmacology Agent
by
CheminemPharmaclaw
· GitHub ↗
· v2.0.1
· MIT-0
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Install in OpenClaw
/install pcl-pharmacology-agent
Description
Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions...
Usage Guidance
This skill appears to do what it says: local RDKit-based ADME profiling and an optional script that posts SMILES to ADMETlab 3.0. Before installing or running: (1) Ensure RDKit and requests are available in your environment. (2) If your molecules are proprietary or confidential, avoid running admetlab3.py (it will send SMILES to a third‑party API). (3) If you want to restrict network access, run only scripts/chain_entry.py (it uses local RDKit models and does not call the remote API). (4) Review or sandbox the optional lab_hook dashboard integration if you have a local 'pharmaclaw-lab-ui' directory to avoid unintended local imports.
Capability Analysis
Type: OpenClaw Skill
Name: pcl-pharmacology-agent
Version: 2.0.1
The bundle implements a pharmacology profiling agent that uses RDKit and the ADMETlab 3.0 API to predict drug-likeness and ADME properties. The code in scripts/admetlab3.py and scripts/chain_entry.py is well-structured and aligns with the stated scientific purpose, including appropriate error handling and fallback mechanisms. While chain_entry.py includes a relative path hook for a 'pharmaclaw-lab-ui' component, this appears to be a standard integration for a dashboard environment and does not exhibit malicious behavior or data exfiltration.
Capability Assessment
Purpose & Capability
The name/description match the provided scripts: chain_entry.py performs RDKit-based descriptor and rule-based ADME predictions and admetlab3.py implements optional ADMETlab 3.0 API calls and a RDKit fallback. No unrelated binaries or secrets are required. Minor inconsistency: the top-level wording implies automatic combination of ADMETlab+RDKit, but chain_entry.py does not call admetlab3.py automatically — the ADMETlab integration is provided as a separate script the user can run.
Instruction Scope
SKILL.md instructs running the included Python scripts. chain_entry.py operates locally on a provided SMILES and does not exfiltrate other system data. admetlab3.py issues HTTP POSTs to https://admetlab3.scbdd.com/service/evaluation (documented in the code) — expected for the advertised ML integration but important to note: sending SMILES to that external service will transmit molecule structures off-host (potential IP/privacy risk). There are no instructions to read unrelated files or environment variables.
Install Mechanism
No install spec is provided (instruction-only install). The code relies on standard Python packages (requests) and RDKit; this is proportional to the functionality. Nothing in the skill downloads arbitrary archives or runs external installers.
Credentials
The skill declares no required environment variables or credentials and the code does not attempt to read secrets. It does rely on RDKit and optional SA_Score/PAINS RDKit contribs; ensure those dependencies are available. The optional lab_hook import inserts a relative path to a neighboring 'pharmaclaw-lab-ui' directory but falls back to a no-op if not present — not a credential access but it can call a local dashboard if that package exists.
Persistence & Privilege
always is false and the skill does not modify other skills or system configuration. It only prints JSON output and calls an optional external API; autonomous invocation is allowed by default (normal for skills) but not combined with other high-risk requests.
How to Use
- Make sure OpenClaw is installed (local or Docker)
- Run the install command in chat:
/install pcl-pharmacology-agent - After installation, invoke the skill by name or use
/pcl-pharmacology-agent - Provide required inputs per the skill's parameter spec and get structured output
Version History
v2.0.1
Republished under CheminemPharmaclaw
Metadata
Frequently Asked Questions
What is PharmaClaw Pharmacology Agent?
Pharmacology agent for ADME/PK profiling of drug candidates from SMILES. Computes drug-likeness (Lipinski Ro5, Veber rules), QED, SA Score, ADME predictions... It is an AI Agent Skill for Claude Code / OpenClaw, with 95 downloads so far.
How do I install PharmaClaw Pharmacology Agent?
Run "/install pcl-pharmacology-agent" in the OpenClaw or Claude Code chat to install it in one step — no extra setup required.
Is PharmaClaw Pharmacology Agent free?
Yes, PharmaClaw Pharmacology Agent is completely free, licensed under MIT-0. You can download, install and use it at no cost.
Which platforms does PharmaClaw Pharmacology Agent support?
PharmaClaw Pharmacology Agent is cross-platform and runs anywhere OpenClaw / Claude Code is available (cross-platform).
Who created PharmaClaw Pharmacology Agent?
It is built and maintained by CheminemPharmaclaw (@cheminempharmaclaw); the current version is v2.0.1.
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