Cli Anything Unimol Tools

A focused CLI wrapper around Uni-Mol Tools for training molecular property prediction models. You get five task types (binary classification, regression, multiclass, and multilabel variants), project management to organize experiments, and automatic model tracking with performance rankings. The storage analyzer and cleanup commands are practical touches for managing disk space when you're iterating on models. Ships with JSON mode for scripting and an interactive REPL with tab completion. If you're working with SMILES data and need to predict molecular properties without writing training boilerplate, this gives you a structured workflow. The 67 unit tests and example datasets suggest it's reasonably mature for experimental work.

skills.sh installs: 491
GitHub stars: 58.5K
last updated: Aug 21, 2026

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Install

$ npx -y skills add hkuds/cli-anything --skill cli-anything-unimol-tools --agent claude-code

Installs into .claude/skills of the current project.

Files

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

# Create a new project
project create --name drug_discovery

# List all projects
project list

# Switch to a project
project switch --name drug_discovery

Training

# Train a classification model
train --data-path train.csv --target-col active --task-type classification --epochs 10

SKILL.md on GitHub

Details

Repository: github.com/hkuds/cli-anything
Category: CLI & Terminal
First seen: Jun 3, 2026

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