admet_genetic skillA
admet_genetic is agent-read markdown (skill) from pku-yuangroup/openai4s: ADMET-guided genetic molecule optimization workflow from seed SMILES; use when the agent needs to build or run an RDKit/SA-Score/ADMET-AI GA pipeline for molecule optimization, enforce molecule lineage logs, render optimization-history HTML dashboards, and write candidate triage reports..
Indexed from public GitHub and served as immutable, content-addressed versions. Install it pinned to an exact SHA-256 with the mdr CLI, and every file is verified against the hash recorded here before it reaches your agent. The deterministic audit below grades the latest version, and the same file always earns the same grade.
What the file says
# ADMET Genetic Optimization
Use this skill to build and run a molecular optimization loop from seed SMILES. The target artifact is a ranked set of optimized candidate molecules with auditable lineage, scores, and report artifacts.
The sidecar deliberately does not provide a fixed GA engine. The agent must
assemble and tune mutation, crossover, evaluation, filtering, and selection for
the user's objective. `kernel.py` provides reusable molecule normalization,
ADMET aggregation, lineage validation, and result visualization.
## Special Reminder
In this skill, when see `references/<file_name>.md` is suggested, use host call to retrieval the complementary material.
```python
host.skills.read("admet_genetic", "references/<file_name>.md")
```
## Prerequisites
```bash
conda create -n admet-sa-ga python=3.11 -y
conda activate admet-sa-ga
python -m pip install pandas pyyaml matplotlib rdkit
python -m pip install admet-ai # depends on torch; installation/import may take time
```
After creating the environment, select it with `host.env.use("admet-sa-ga")`
before importing this skill's sidecar. Switching environments restarts the
…Read the whole file at its exact version.
How to install
mdr add pku-yuangroup/openai4s/admet_genetic@git:20260828.e9753bemdr add pku-yuangroup/openai4s/admet_genetic@sha256:a2b0882670424f37Pin to a label to follow the author's releases, or to a sha256 to freeze the exact bytes forever. Either way the resolved hash is written to mdr.lock, and mdr install reproduces it on any machine.
[](https://markdownregistry.com/a/art_onswsd54j3j4uli5)
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Versions
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| git:20260828.e9753be latest | 2026-08-28 | e9753be | 13,642 B | A | view · diff |
| git:20260826.541380e | 2026-08-26 | 541380e | 13,586 B | A | view · diff |
| git:20260711.d39be3d | 2026-07-11 | d39be3d | 8,824 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (13642 bytes)
- pass: No zero-width or bidi control characters
- pass: No instruction hidden inside an HTML comment
- pass: No link to an exfiltration or paste host
- pass: No credential-shaped string
- pass: No instruction to send local credentials anywhere
- pass: No text hidden with inline styles
- pass: No prompt-injection phrasing
- pass: No curl or wget piped into a shell
- pass: No recursive delete of root, home or parent
- pass: No instruction to read or print local credentials
- pass: No base64 blob over 200 characters
- pass: No link to a raw IP address
- pass: No script tag
Source
pku-yuangroup/openai4s · 586 stars · license MIT · pushed 2026-09-23 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_onswsd54j3j4uli5 GET https://markdownregistry.com/api/v1/resolve?ref=pku-yuangroup/openai4s/admet_genetic GET https://markdownregistry.com/api/v1/blob/a2b0882670424f3796851fae0f365707a8f7022eeef53afdc8e5e50c37681662
Your agent does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.