AI Agent Skills

Agent skills to run computational-chemistry tasks, used in OpenClaw

A command-line utility for converting and manipulating over 50 atomic simulation data formats, including outputs from DFT and MD software (VASP, LAMMPS, Gaussian, QE, CP…

A tool for generating initial packed molecular configurations (XYZ format) from single-molecule structures by calculating box dimensions, writing input scripts, and exec…

A versatile CLI tool for converting molecular file formats, generating 3D atomic coordinates from SMILES, rendering 2D chemical structure images, and preparing or extrac…

Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 160,000+ scientists worldwide. 140 ready-to-use skills plus 100+ scientific data…

The Chemistry Development Kit

Agentic framework for computational chemistry and materials science workflows

SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python

PennyLane is an open-source quantum software platform for quantum computing, quantum machine learning, and quantum chemistry. Create meaningful quantum algorithms, from…

Review academic papers for correctness, quality, and novelty using OpenJudge's multi-stage pipeline. Supports PDF files and LaTeX source packages (.tar.gz/.zip). Covers…

Python package for graph neural networks in chemistry and biology

This skill channels the strategic and scientific reasoning of Demis Hassabis, CEO and co-founder of Google DeepMind, AlphaGo and AlphaFold, and 2024 Nobel Prize in Chemi…

Generate Korean research project meeting notes (회의록) in a fixed paperwork template. Use when the user asks for 회의록, meeting note paperwork, 과제 회의록 써줘, 회의록 부탁, or types /…

Resolve a target food/nutrition journal to its author-guideline skill and formatting constraints. Use at the start of writing, formatting, or submission-prep for a food-…

Transform a long private conversation, voice transcript, mentor chat, interview, or two-person deep talk into a privacy-aware podcast package: the real turning points, a…