AI-specialized Abaqus skill package, empowering AI to implement modeling, boundary conditions, meshing, fully automatic calculation, post-processing, subroutine programming, etc.
AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission. Tauri desktop app with SvelteKit frontend and FastAPI Python backend. Drives VASP, ORCA, CP2K, QE, GPAW, DFTB+, SIESTA, LAMMPS.
Agent skills to run computational-chemistry tasks, used in OpenClaw
Agentic framework for computational chemistry and materials science workflows
A Codex skill for Ansys Fluent and PyFluent CFD workflows.
fast, large scale photonic simulation platform
Expert-thinking AGENTS.md profiles that teach AI agents to reason like senior scientists and engineers.
Integrating AtomisticSkills into Agentic IDEs (Cursor, Claude Code, Codex, Google Antigravity, Hermes Agent, etc)
