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Agent skill

CLI Anything Unimol Tools

by HKUDS in HKUDS/CLI-Anything

Interactive CLI for Uni-Mol molecular property prediction training and inference workflows.

Apache-2.0Auto-check passed

Install CLI Anything Unimol Tools

skills CLI
$ npx skills add HKUDS/CLI-Anything --skill cli-anything-unimol-tools -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install HKUDS/CLI-Anything cli-anything-unimol-tools --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/HKUDS/CLI-Anything.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/cli-anything-unimol-tools .claude/skills/cli-anything-unimol-tools && rm -rf skills-src

Use ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.

Claude Code skills documentation · loads skills from .claude/skills/

Facts

Skill name
cli-anything-unimol-tools
GitHub stars
52k
Token cost
~1.1k tokens
SKILL.md length
288 words
Files
1
Skills in repo
78
Repo updated
First seen
Licence
Apache-2.0

At a glance

Interactive CLI for Uni-Mol molecular property prediction training and inference workflows.

  • Works in 5 steps: classification: Binary classification… → regression: Continuous value prediction → multiclass: Multiple class classification → …
  • SKILL.md covers Description, Key Features, Common Commands and Data Format, plus 11 more sections
  • Calls python3, bash and pip

What it does

CLI Anything Unimol Tools is an agent skill from HKUDS/CLI-Anything. Interactive CLI for Uni-Mol molecular property prediction training and inference workflows.

Its SKILL.md is about 1.1k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

The repository describes itself as: "CLI-Anything: Making ALL Software Agent-Native" -- CLI-Hub: https://clianything.cc/. The licence is Apache-2.0.

Example prompts

  • “/cli-anything-unimol-tools”

Requirements

  • Python 3

Workflow steps

5 steps, taken from the first numbered list in SKILL.md.

  1. classification: Binary classification (0/1)
  2. regression: Continuous value prediction
  3. multiclass: Multiple class classification
  4. multilabel_classification: Multiple binary labels
  5. multilabel_regression: Multiple continuous values

What it can do on your machine

Read from SKILL.md and the folder at commit 34f5195. It shows what the files ask for, not the result of running them.

  • Tool permissions

    Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.

    From allowed-tools in the SKILL.md frontmatter.

  • Runs code

    Shell commands in SKILL.md call:

    • python3
    • bash
    • pip

    From the folder's file list and the shell code blocks in SKILL.md.

  • Network

    Links to these hosts (documentation or services it may open):

    • github.com
    • arxiv.org

    From URLs in SKILL.md, links to its own repository left out.

  • Credentials

    Names no API keys, tokens, secrets or passwords.

    From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.

Context cost

CLI Anything Unimol Tools loads about 1.1k tokens when it runs. Until then it costs about 29 tokens; SKILL.md has 288 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~29
When it runs · the whole SKILL.md, loaded when a task matches
~1.1k

Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.

Safety

Auto-check passed

The automated check found no risky patterns in SKILL.md.

Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.

SKILL.md

The full file from HKUDS/CLI-Anything at commit 34f5195, republished under its Apache-2.0 licence (© HKUDS). 288 words, ~1,058 tokens.

Download SKILL.mdSave it as .claude/skills/cli-anything-unimol-tools/SKILL.md (or your agent's skills folder).
name
cli-anything-unimol-tools
description
Interactive CLI for Uni-Mol molecular property prediction training and inference workflows.

Uni-Mol Tools - Molecular Property Prediction CLI

Package: cli-anything-unimol-tools Command: python3 -m cli_anything.unimol_tools

Description

Interactive CLI for training and inference of molecular property prediction models using Uni-Mol Tools. Supports 5 task types: binary classification, regression, multiclass, multilabel classification, and multilabel regression.

Key Features

  • Project Management: Organize experiments with named projects
  • 5 Task Types: Classification, regression, multiclass, multilabel variants
  • Model Tracking: Automatic performance history and rankings
  • Smart Storage: Analyze usage and clean up underperformers
  • JSON API: Full automation support with --json flag

Common Commands

Project Management
bash
# Create a new project
project create --name drug_discovery

# List all projects
project list

# Switch to a project
project switch --name drug_discovery
Training
bash
# Train a classification model
train --data-path train.csv --target-col active --task-type classification --epochs 10

# Train a regression model
train --data-path train.csv --target-col affinity --task-type regression --epochs 10
Model Management
bash
# List all trained models
models list

# Show model details and performance
models show --model-id <id>

# Rank models by performance
models rank
Storage & Cleanup
bash
# Analyze storage usage
storage analyze

# Automatic cleanup of poor performers
cleanup auto

# Manual cleanup with criteria
cleanup manual --max-models 10 --min-score 0.7
Prediction
bash
# Make predictions with a trained model
predict --model-id <id> --data-path test.csv

Data Format

CSV files must contain:

  • SMILES column: Molecular structures in SMILES format
  • Target column(s): Values to predict (name specified via --target-col)

Example:

csv
SMILES,target
CCO,1
CCCO,0
CC(C)O,1

Task Types

  1. classification: Binary classification (0/1)
  2. regression: Continuous value prediction
  3. multiclass: Multiple class classification
  4. multilabel_classification: Multiple binary labels
  5. multilabel_regression: Multiple continuous values

JSON Mode

Add --json flag to any command for machine-readable output:

bash
python3 -m cli_anything.unimol_tools --json models list

Output format:

json
{
  "status": "success",
  "data": [...],
  "message": "..."
}

Interactive Mode

Launch without commands for interactive REPL:

bash
python3 -m cli_anything.unimol_tools

Features:

  • Tab completion
  • Command history
  • Contextual help
  • Project state persistence

Test Data

Example datasets available at: https://github.com/545487677/CLI-Anything-unimol-tools/tree/main/unimol_tools/examples

Includes data for all 5 task types.

Requirements

  • Python 3.8+
  • PyTorch 1.12+
  • Uni-Mol Tools backend
  • 4GB+ RAM (8GB+ recommended for training)

Installation

bash
cd unimol_tools/agent-harness
pip install -e .

Documentation

Testing

bash
cd docs/test
bash run_tests.sh --unit -v    # Unit tests (67 tests)
bash run_tests.sh --full -v    # Full test suite

Performance Tips

  • Start with 10 epochs for initial experiments
  • Use smaller batch sizes if memory is limited
  • Monitor storage with storage analyze
  • Use models rank to identify best performers
  • Clean up regularly with cleanup auto

Troubleshooting

  • CUDA errors: Reduce batch size or use CPU mode
  • CSV not recognized: Verify SMILES column exists
  • Low accuracy: Try more epochs or adjust learning rate
  • Storage full: Run cleanup auto to free space

© HKUDS, Apache-2.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file

Files

Just SKILL.md in skills/cli-anything-unimol-tools of HKUDS/CLI-Anything.

Open the folder on GitHubat commit 34f5195

Compare with similar skills

CLI Anything Unimol Tools next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.

CLI Anything Unimol Tools compared with similar skills
SkillStarsUsed inTokensAuto-checkLicenceRepo updated
CLI Anything Unimol Tools this skillHKUDS/CLI-Anything52k—~1.1kAutomated safety check: PassApache-2.0
Ito Trainingaffaan-m/ECC276k1 repos~1.5kAutomated safety check: PassMIT
Ray Train Distributed TrainingOrchestra-Research/AI-Research-SKILLs13k2 repos~2.7kAutomated safety check: PassMIT
CSS At Propertythedaviddias/Front-End-Checklist74k—~602Automated safety check: PassMIT
Fal Trainnexu-io/open-design100k—~293Automated safety check: PassApache-2.0
Train Poseruvnet/RuView97k—~504Automated safety check: PassMIT

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Questions about CLI Anything Unimol Tools

What does CLI Anything Unimol Tools do?

Interactive CLI for Uni-Mol molecular property prediction training and inference workflows. CLI Anything Unimol Tools is an agent skill from HKUDS/CLI-Anything. Interactive CLI for Uni-Mol molecular property prediction training and inference workflows.

How do I install CLI Anything Unimol Tools in Claude Code?

Run `npx skills add HKUDS/CLI-Anything --skill cli-anything-unimol-tools -a claude-code`. Or copy the skill folder (skills/cli-anything-unimol-tools in HKUDS/CLI-Anything) into .claude/skills/cli-anything-unimol-tools in your project. Claude Code loads it when a task matches its description.

How do I install CLI Anything Unimol Tools in Codex?

Run `npx skills add HKUDS/CLI-Anything --skill cli-anything-unimol-tools -a codex`. Or copy the skill folder (skills/cli-anything-unimol-tools in HKUDS/CLI-Anything) into .agents/skills/cli-anything-unimol-tools in your project. Codex loads it when a task matches its description.

Can I use CLI Anything Unimol Tools in Cursor, Gemini CLI or GitHub Copilot?

Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add HKUDS/CLI-Anything --skill cli-anything-unimol-tools -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/cli-anything-unimol-tools, .gemini/skills/cli-anything-unimol-tools, .github/skills/cli-anything-unimol-tools and .opencode/skills/cli-anything-unimol-tools in your project.

What does CLI Anything Unimol Tools need to run?

Going by SKILL.md and its folder, CLI Anything Unimol Tools needs the command-line tools its instructions call (python3, bash and pip). Our summary lists: Python 3.

Does CLI Anything Unimol Tools access the network?

SKILL.md names 2 domains. As links in the text: github.com and arxiv.org. This is read from the text; nothing was executed.

Is CLI Anything Unimol Tools safe to install?

Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.

What licence does CLI Anything Unimol Tools use?

CLI Anything Unimol Tools is published under the Apache-2.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does CLI Anything Unimol Tools use?

About 1.1k tokens (SKILL.md is roughly 4.2k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.

What are the alternatives to CLI Anything Unimol Tools?

Skills that share tags, products or a category with CLI Anything Unimol Tools: Ito Training (affaan-m/ECC, 276k stars), Ray Train Distributed Training (Orchestra-Research/AI-Research-SKILLs, 13k stars), CSS At Property (thedaviddias/Front-End-Checklist, 74k stars) and Fal Train (nexu-io/open-design, 100k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains CLI Anything Unimol Tools?

HKUDS (a GitHub organization) maintains it in HKUDS/CLI-Anything, which has 51,809 GitHub stars. The repository holds 78 skills in this directory. The repository was last updated on September 22, 2026.

Source: HKUDS/CLI-Anything on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.