dtunai

dtunai/agent-skills-for-compute

Plugin Claude Code

Plugin marketplace listing 3 plugins: cuda-quantum, physicsnemo, bionemo.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Validates skills in this repo against agentskills.io spec and Claude Code best practices. Use via /validate-skills command.

dtunai/agent-skills-for-compute

Instructions file CodexOpenCode

Instructions for dtunai/agent-skills-for-compute, covering agent skills for compute, structure, skill format and adding new skills.

dtunai/agent-skills-for-compute

Instructions file

Instructions for dtunai/agent-skills-for-compute, covering agent skills for compute, skills and adding skills.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides NVIDIA ALCHEMI Toolkit-Ops patterns for GPU-accelerated atomistic simulation kernels. Applies to tasks involving neighbor list construction, electrostatic interactions (Ewald, PME, Coulomb, multipole), DFT-D3 dispersion corrections, molecular dynamics, GNN-based molecular property prediction, or…

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Scaffold an autoresearch-style autonomous experiment loop for any domain. Generates program.md, fixed evaluation harness, mutable experiment file, and results logging — inspired by Karpathy's autoresearch philosophy.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides NVIDIA BioNeMo patterns for computational biology and AI-driven drug discovery. Applies to tasks involving protein language models (ESM-2), structure prediction (AlphaFold2), protein design (RFdiffusion, ProteinMPNN), molecular generation, NIM microservice deployment, or multi-model biology pipelines.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

BioSimSpace — engine-agnostic Python framework for biomolecular simulation. Portable workflows across AMBER, GROMACS, NAMD, OpenMM. Parameterisation, solvation, minimisation, equilibration, production MD, free energy perturbation, metadynamics.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides CUDA-Q hybrid quantum-classical programming patterns for GPU-accelerated quantum simulation, circuit construction, variational algorithms, hardware backend configuration, dynamics simulation, and CUDA-QX extension libraries (solvers for molecular chemistry, QEC for error correction). Applies to tasks…

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

NVIDIA CuTile Python — tile-based GPU programming DSL. Write kernels using tiles instead of threads, with automatic tensor core and TMA optimization. Blackwell GPUs (compute 10.x/12.x).

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides Dask parallel computing framework for scaling Python workloads across cores and clusters. Covers DataFrames, Arrays, Bags, Delayed, distributed scheduler, GPU acceleration with cuDF/CuPy, and HPC deployment with Dask-Jobqueue.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

FlashInfer — High-performance kernel library for LLM inference with optimized attention, paged KV-cache, FP8/FP4 quantization.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Materials Project API — access 150k+ computed materials, crystal structures, thermodynamics, electronic/phonon properties via MPRester and pymatgen.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides MPI (Message Passing Interface) for parallel and distributed computing. Covers point-to-point communication, collective operations, process management, Open MPI, MPICH, and mpi4py Python bindings for HPC applications.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

NVIDIA Nemotron — open LLM family with hybrid Mamba-Transformer MoE architecture, 1M context, NIM deployment, synthetic data generation.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

NVIDIA Omniverse SimReady — OpenUSD standard for physically accurate 3D assets with metadata for robotics, digital twins, synthetic data generation.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides NVIDIA PhysicsNeMo patterns for building, training, and deploying physics-informed machine learning models at scale. Applies to tasks involving neural operators (FNO, AFNO), weather/climate modeling (FourCastNet, CorrDiff, GraphCast), scientific simulation surrogates, physics-constrained training, or…

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Polars DataFrame library with GPU acceleration via RAPIDS cuDF — lazy evaluation, expressions API, and high-performance data transformations.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Prime Intellect verifiers & PrimeRL — build RL environments, rubrics, and reward functions for LLM post-training. Covers environment classes, tool integration, GEPA prompt optimization, and async distributed RL training.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides Qiskit quantum computing framework for building quantum circuits, executing on IBM Quantum hardware and simulators, using runtime primitives (Sampler, Estimator), transpiler optimization, error mitigation, quantum information science, and ecosystem tools including Qiskit Metal for quantum hardware design.…

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides Ray distributed computing framework for scaling Python applications. Covers Ray Core (tasks, actors, objects), Ray Data (data processing), Ray Train (distributed training), Ray Serve (model serving), Ray Tune (hyperparameter tuning), and Ray RLlib (reinforcement learning).

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

RDKit cheminformatics toolkit — molecular I/O, descriptors, fingerprints, substructure searching, reactions, and 3D conformer generation.

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Provides Slurm Workload Manager commands for HPC cluster job scheduling, GPU allocation with GRES, job arrays, MPI integration, resource management, QOS configuration, and accounting. Applies to tasks involving batch job submission (sbatch), interactive jobs (srun, salloc), job monitoring (squeue, sacct), GPU/CUDA…

dtunai/agent-skills-for-compute

Skill Claude CodeCodex

Tinker by Thinking Machines Lab — low-level training API for LLM fine-tuning. LoRA training, RL environments, supervised learning, DPO, and custom loss functions with full algorithmic control over remote GPU clusters.