oracles
Oracles are functions that evaluate the quality of generated molecules across specific dimensions. TDC provides 17+ oracle functions for molecular optimization tasks in de novo drug design.
- Skills
- Scientific
- 1
What it does and how to use it
A skill that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.
- Install the skill (command above).
- In Claude Code, describe what you need - the skill turns on by itself when the context fits.
- No commands to memorize: you talk in plain language and the skill does the rest.
Install (Claude Code)
mkdir -p .claude/skills/oracles && curl -fsSL https://doutorai.pt/data/lib/skills__oracles.md -o .claude/skills/oracles/SKILL.mdPaste this command into the terminal, in your project folder, and the component installs automatically.
Content
# TDC Molecule Generation Oracles
Oracles are functions that evaluate the quality of generated molecules across specific dimensions. TDC provides 17+ oracle functions for molecular optimization tasks in de novo drug design.
## Overview
Oracles measure molecular properties and serve two main purposes:
1. **Goal-Directed Generation**: Optimize molecules to maximize/minimize specific properties
2. **Distribution Learning**: Evaluate whether generated molecules match desired property distributions
## Using Oracles
### Basic Usage
```python
from tdc import Oracle
# Initialize oracle
oracle
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