medsci-agent: Skill for OpenCode

.opencode/skills/rdkit/SKILL.md

rdkit is a skill for OpenCode from omar-A-hassan/medsci-agent. It costs 26 tokens per session (424 once invoked), scanned A, original, MIT.

A chemistry toolkit for working with molecules represented as SMILES, a compact text format for chemical structures. It calculates molecular properties, checks common drug-design rules, creates molecular fingerprints, and compares molecular similarity.

In plain words
What is it for?
Inspecting molecules, estimating properties such as molecular weight and fat solubility, screening for drug-likeness, generating fingerprints, and comparing compounds.
Why use it?
It turns chemical structures into measurable values and comparable representations that software can analyse consistently.

Skill for OpenCode

Written for OpenCode: installed under .opencode/.

This is omar-A-hassan/medsci-agent's own configuration. It tells OpenCode how to work on medsci-agent itself, so it is not a mod to install elsewhere. Copy it as a starting point and replace the rules that are about this project. Everything medsci-agent configures →

Reuse

Borrowing it

Nothing to install: this file belongs to omar-A-hassan/medsci-agent. Take a copy, put it at the same path in your own repository, and replace the rules that are about this project with yours.

Copy the file
curl -O https://raw.githubusercontent.com/omar-A-hassan/medsci-agent/main/.opencode/skills/rdkit/SKILL.md
Clone the repo
git clone --depth 1 https://github.com/omar-A-hassan/medsci-agent

Made for: OpenCode.

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 rdkit

README.md
[![agentmods](https://agentmods.dev/badge/skills/omar-a-hassan/medsci-agent/rdkit/github.svg)](https://agentmods.dev/skills/omar-a-hassan/medsci-agent/rdkit)
Your own site
<a href="https://agentmods.dev/skills/omar-a-hassan/medsci-agent/rdkit"><img src="https://agentmods.dev/badge/skills/omar-a-hassan/medsci-agent/rdkit/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 rdkit

Your own site · 80×15
<a href="https://agentmods.dev/skills/omar-a-hassan/medsci-agent/rdkit"><img src="https://agentmods.dev/badge/skills/omar-a-hassan/medsci-agent/rdkit.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 26 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 424 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 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 $0.00026 $0.00424
Opus 5 $0.00013 $0.00212
Sonnet 5 $0.00005 $0.00085
Haiku 4.5 $0.00003 $0.00042

Measured 9d ago against content hash 5ab02d0c31a2, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-09, from the pricing page.

Security

Grade A, and why

rdkit 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 9d 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.

.opencode/skills/rdkit/SKILL.md · 36 lines

What it actually says

RDKit — Cheminformatics

When to Use

  • Analyzing molecules from SMILES strings
  • Computing physicochemical properties (MW, LogP, TPSA, etc.)
  • Drug-likeness assessment (Lipinski, Veber, etc.)
  • Molecular similarity (Tanimoto with Morgan fingerprints)
  • Molecular fingerprint generation

Available Tools

  • analyze_molecule(smiles) — Full property profile
  • lipinski_filter(smiles) — Rule of Five check
  • molecular_similarity(smiles1, smiles2) — Tanimoto similarity

SMILES Reference

SMILES (Simplified Molecular Input Line Entry System) is a line notation for molecular structures:

  • CC(=O)OC1=CC=CC=C1C(=O)O — Aspirin
  • CC(C)CC1=CC=C(C=C1)C(C)C(=O)O — Ibuprofen
  • CN1C=NC2=C1C(=O)N(C(=O)N2C)C — Caffeine

Drug-Likeness Rules

  • Lipinski's Rule of Five: MW≤500, LogP≤5, HBD≤5, HBA≤10 (≤1 violation)
  • Veber: RotBonds≤10, TPSA≤140
  • Lead-like: MW 250-350, LogP -1 to 3, RotBonds≤7

Similarity Interpretation

  • Tanimoto > 0.85 — Very similar, likely same scaffold
  • Tanimoto 0.7-0.85 — Similar, may share target activity
  • Tanimoto 0.4-0.7 — Moderate, may share pharmacophore features
  • Tanimoto < 0.4 — Dissimilar
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. 9d ago First seen · 36 lines · 26 tokens per session scan A 5ab02d0c31a2

Subscribe to this mod's changes

rdkit is a skill published in the GitHub repository omar-A-hassan/medsci-agent (18 stars, last pushed 2d ago), licensed MIT. It adds 26 tokens to every session and 424 once invoked, about $0.0001 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 2026-08-30.

Related

Other skills, from other repositories

build-expression-tree

For symbolic computation: ASTs, mathematical expressions, code that manipulates code structure, expression transformations.

jimmc414/claude-code-plugin-marketplace · 24 tokens

find-convex-hull

For computational geometry: convex hull, point enclosure, polygon operations. Uses monotone chain algorithm with stack-based turn detection.

jimmc414/claude-code-plugin-marketplace · 31 tokens

dfam-check

Measure mesh files against Design for Additive Manufacturing (DfAM) rules and report printability findings per process (FDM, SLS, SLA/DLP, metal PBF, MJF). Use when the user asks whether a part is printable, wants overhang/wall-thickness/support analysis of an .stl, .obj, .ply, or .3mf mesh, wants a build-orientation…

earthtojake/text-to-cad · 111 tokens

peer-review

Structured manuscript/grant review with checklist-based evaluation. Use when writing formal peer reviews with specific criteria methodology assessment, statistical validity, reporting standards compliance (CONSORT/STROBE), and constructive feedback. Best for actual review writing, manuscript revision. For evaluating…

xintaofei/codeg · 71 tokens

tooluniverse-gene-enrichment

Gene-set enrichment analysis — GO (Biological Process, Molecular Function, Cellular Component), KEGG, Reactome pathway enrichment via clusterProfiler, gseapy, ORA, GSEA. Use for interpreting DEG lists, screen hit lists, or any gene-list-to-pathways query. Includes simplify-cutoff handling and union-vs-total…

mims-harvard/ToolUniverse · 82 tokens

tooluniverse-phylogenetics

Phylogenetic analysis — de novo multiple sequence alignment (Clustal Omega/MUSCLE/MAFFT via EBImsaalign) and neighbour-joining/UPGMA tree building (EBIbuildphylogenetictree) from your own sequences, plus tree analysis, treeness, saturation (PhyKIT), parsimony-informative sites, alignment gap analysis, DVMC…

mims-harvard/ToolUniverse · 155 tokens