Skill Claude CodeCodex ✓ vendor
Use this skill when migrating applications, examples, integrations, documentation, manifests, or repository code from NeMo Flow to NeMo Relay across Python, Rust, Node.js, Go, C FFI, CLI, configuration, and observability surfaces.
Skill Claude CodeCodex ✓ vendor
Use this skill when baseline NeMo Relay instrumentation exists and the user wants to configure or evaluate adaptive plugin behavior, including telemetry, state, adaptivehints, toolparallelism, ACG, hint consumption, or measured rollout.
Skill Claude CodeCodex ✓ vendor
Use this skill when building or packaging reusable NeMo Relay runtime behavior as an embedded configuration component or a manifest-backed rustdynamic native or worker gRPC plugin, with deterministic validation and rollback-safe registration.
Skill Claude CodeCodex ✓ vendor
Use this skill when choosing or configuring NeMo Relay 0.6 or 0.7 observability through the built-in plugin, subscribers, or exporters, including raw ATOF events, ATIF trajectories, OpenTelemetry, OpenInference, or custom event handling.
Skill Claude Code ✓ vendor
How to write, read, compose, and load atomic data using nvalchemi's composable Zarr-backed storage pipeline (Writer, Reader, Dataset, MultiDataset, DataLoader). Use when saving simulation outputs or trajectories to disk, converting structures (e.g. ASE / extxyz) into Zarr stores, assembling datasets for training or…
Skill Claude Code ✓ vendor
How to use AtomicData and Batch, the core graph-based data structures for representing atomic systems and batching them for GPU computation. Use when building systems from positions, cells, and atomic numbers, converting from ASE Atoms, batching or unbatching structures, reading per-atom vs per-graph tensors, grouping…
Skill Claude Code ✓ vendor
How to run domain-decomposed (multi-GPU) MLIP simulations with DomainParallel — choose between the halo and graph-partition strategies, author a distributionspec so a bring-your-own model runs under domain decomposition, and write a custom dynamics integrator that stays correct across ranks.
Skill Claude Code ✓ vendor
How to configure and run dynamics simulations, compose multi-stage pipelines (FusedStage, DistributedPipeline), use inflight batching, and manage data sinks. Use when writing any simulation script — molecular dynamics (NVE/NVT), structure relaxation or geometry optimization (e.g. FIRE2), equation-of-state or…
Skill Claude Code ✓ vendor
How to use and write dynamics hooks — callbacks that observe or modify batch state at specific points during each simulation step. Use when a simulation needs neighbor-list rebuilds, convergence checks or early stopping, temperature control, per-step logging or trajectory capture, or any custom per-step behavior…
Skill Claude Code ✓ vendor
How to implement a dynamics integrator by subclassing BaseDynamics and overriding preupdate() and postupdate() methods. Use when creating a custom integrator, optimizer, or sampler that the built-in stages do not provide; for configuring existing dynamics, see nvalchemi-dynamics-api.
Skill Claude Code ✓ vendor
How to fine-tune nvalchemi-compatible models with FineTuningStrategy, pretrained checkpoint initialization, module patches, trainable-parameter filters, conservative optimizer defaults, validation, restart checkpoints, and model-agnostic MACE, AIMNet2, custom BaseModelMixin, or PyTorch inputs. Use when adapting a…
Skill Claude Code ✓ vendor
How to use built-in loss functions and implement custom losses using the BaseLossFunction template-method pattern — residual types, per-atom normalization, masking, and graph-balanced reductions. Use when choosing or weighting energy, force, or stress objectives for training or fine-tuning, masking atoms or graphs out…
Skill Claude Code ✓ vendor
How to wrap an arbitrary MLIP (Machine Learning Interatomic Potential) using the BaseModelMixin interface to standardize inputs, outputs, and embeddings. Use when integrating a model such as MACE or AIMNet2 (e.g. MACEWrapper, loading pretrained checkpoints) so dynamics, training, or fine-tuning stages can call it, or…
Skill Claude Code ✓ vendor
How to add observability to nvalchemi dynamics and training workflows using ReportingOrchestrator, RichReporter, TensorBoardReporter, scalar extraction, custom reporter callbacks, and dynamics LoggingHook. Use when showing live progress, writing TensorBoard summaries, preserving dynamics CSV rows, adding rank-safe…
Skill Claude Code ✓ vendor
How to configure nvalchemi training workflows with TrainingStrategy, custom training functions, standalone or composed losses, loss-weight schedules, optimizer and scheduler configs, validation, hooks, restartable checkpoints, model-agnostic inputs, and scaling to multiple GPUs or nodes with DistributedManager and…
Skill Claude Code ✓ vendor
Performance tuning for nvalchemi's Zarr-backed Reader, Dataset, and DataLoader pipeline. Use when configuring AtomicDataZarrReader, Dataset, DataLoader, ZarrWriteConfig, or nvalchemi-io-test for training/inference throughput, especially shuffled access, graph-like random access, fused prefetch, pinned memory…
Skill Claude Code ✓ vendor
How to compute minimum-energy paths (MEPs) and transition-state estimates with nvalchemi.dynamics.mep: building initial paths (interpolation, alignment, IDPP) and running batched nudged elastic band (NEB) with the NEB strategy or by building it manually with hooks. Use when setting up reaction paths between reactant…
Skill Claude Code ✓ vendor
How to distill a large teacher MLIP into a small student with DistillationStrategy — teacher signals and offline dataset labeling, the teacher loss targets, the on-policy segment loop (propagator, replay buffer, mixed loader), checkpoints and restart, and accuracy/stability evaluation with acceptance thresholds. Use…
Skill Claude CodeCodex ✓ vendor
Generate a production availability report for NVIDIA Elements packages, skill registry, and documentation.
Skill Claude CodeCodex needs its repo ✓ vendor
Investigate failed scheduled or nightly GitHub Actions runs on the default branch, determine whether the failure is reproducible and repository-owned, implement the smallest evidence-backed fix, validate it, and open a pull request. Use when a failed nightly CI event starts an agent, or when the standard CI or…
Skill Claude CodeCodex ✓ vendor
Perform one conservative dependency or toolchain upgrade in the Elements monorepo and open a validated pull request. Use for nightly or unattended dependency maintenance, outdated package checks, first-party actions/ GitHub Actions updates, and pinned mise tool updates. Use the github-dependabot skill instead when the…
Skill Claude CodeCodex ✓ vendor
Perform one small, scoped maintenance improvement to the Elements monorepo and open a single reviewable pull request. Use this skill for scheduled or unattended upkeep runs that improve unit test coverage for one file, fix one behavioral bug in one module, or move one off ESLint rule toward enforcement to reduce…
Skill Claude Code ✓ vendor
Unified accessibility auditing workflow across static analysis, runtime testing, ARIA patterns, keyboard navigation, and color contrast. Use this skill whenever the user mentions accessibility, a11y, WCAG, ARIA roles, axe tests, screen readers, focus management, keyboard navigation, color contrast, or wants to audit…
Skill Claude CodeCodex ✓ vendor
Run and analyze Elements cold CI performance profiles and propose evidence-backed build, test, lint, and dependency-graph improvements. Use whenever asked to profile or benchmark pnpm run ci, rerun ci:profile, create a CI performance audit, compare CI timings, find bottlenecks or the completion path, investigate a CI…
At most 3 mods per repository are shown here, and a mod shipped inside a plugin is left to that plugin's page — the rest are on their repository pages: