foukusa/stca

v0.1.0

Learn readable polymer structure-property rules, screen candidates, and generate and verify polymer repeat units with STCA.

GitHub

scripts

stca
assets/author_source/src/stca/__init__.py
assets/author_source/src/stca/__main__.py
assets/author_source/src/stca/chemistry.py
assets/author_source/src/stca/cli.py
assets/author_source/src/stca/data.py
assets/author_source/src/stca/errors.py
assets/author_source/src/stca/legacy.py
assets/author_source/src/stca/metrics.py
assets/author_source/src/stca/model.py
43 more
- assets/author_source/src/stca/paper_audit.py
- assets/author_source/src/stca/pretrained.py
- assets/author_source/src/stca/protocols.py
- assets/author_source/src/stca/reproduction.py
- assets/author_source/src/stca/resampling.py
- assets/author_source/src/stca/rules.py
- assets/author_source/src/stca/scan.py
- assets/author_source/src/stca/training.py
- assets/author_source/src/stca/units.py
- assets/author_source/src/stca/validation.py
- assets/author_source/src/stca/verified.py
- scripts/agent_runtime.py
- scripts/audit_dataset.py
- scripts/auto_data_layer.py
- scripts/auto_screen.py
- scripts/build_platform_packages.py
- scripts/custom_fit.py
- scripts/data_cleaning.py
- scripts/data_readiness.py
- scripts/evaluate_custom.py
- scripts/fingerprint_contract.py
- scripts/frozen_literal_model.py
- scripts/generation_prompt.py
- scripts/generation_session.py
- scripts/inrange_evaluation.py
- scripts/launch_runtime.ps1
- scripts/launch_runtime.sh
- scripts/learning_results.py
- scripts/morgan_evaluation.py
- scripts/morgan_split.py
- scripts/prepare_hcap.py
- scripts/rule_library.py
- scripts/runtime_compat.py
- scripts/runtime_discovery.py
- scripts/setup_locked_environment.py
- scripts/source_integrity.py
- scripts/stca_io.py
- scripts/stca_runtime.py
- scripts/stca_tools.py
- scripts/task_menu.py
- scripts/user_rule_library.py
- scripts/workbuddy_runtime.py
- scripts/wracc_search.py

plugin.json

name: stca
version: 0.1.0
description: Learn readable polymer structure-property rules, screen candidates, and generate and verify polymer repeat units with STCA.
author: Weihao Wang
keywords: STCA polymers materials-science interpretable-screening substructure
extensions: com.openai

plugin.json

{
  "$schema": "https://agent-plugins.org/schemas/1.0.0/plugin.schema.json",
  "name": "stca",
  "version": "0.1.0",
  "description": "Learn readable polymer structure-property rules, screen candidates, and generate and verify polymer repeat units with STCA.",
  "author": {
    "name": "Weihao Wang"
  },
  "keywords": [
    "STCA",
    "polymers",
    "materials-science",
    "interpretable-screening",
    "substructure"
  ],
  "extensions": {
    "com.openai": {
      "interface": {
        "displayName": "STCA",
        "shortDescription": "Polymer rules and design",
        "longDescription": "Learn and save readable STCA and WRAcc rules from polymer structure-property data, with screening results for every requested tier. Screen candidates with paper, open-data or saved rules, or choose a rule to generate and verify polymer repeat units. Preserve original polymer SMILES and attachment points. The current AI assistant handles compatible CPU environment discovery, saves reusable rule files and continues in natural language.",
        "developerName": "Weihao Wang",
        "category": "Education & Research",
        "defaultPrompt": [
          "Learn and save rules from my data.",
          "Screen candidates with my selected rules.",
          "Generate candidates with my saved rules."
        ],
        "brandColor": "#167D8D",
        "composerIcon": "./assets/stca-logo.png",
        "logo": "./assets/stca-logo.png"
      },
      "requires_local_executor": true
    }
  }
}

What else this package ships

These files come with the package and this site does not publish them. They are listed so you know what is there before you install it.

50Python files
2shell scripts
151JSON files
36data files
2text files
pyproject.toml
openai.yaml
7other files
4images

View on GitHub

Client extensions

Data this package carries for particular clients. The directory lists the clients named and never reads what is addressed to them.

com.openai