nvalchemi-reporting

nvalchemi-reporting is a skill for Claude Code, Codex from NVIDIA/nvalchemi-toolkit. It costs 86 tokens per session (2,125 once invoked), scanned A, original, Apache-2.0.

A guide to adding progress reporting and recorded measurements to nvalchemi training and molecular-dynamics workflows. It covers live summaries, TensorBoard dashboards, scalar values, callbacks, and dynamics logs.

In plain words
What is it for?
Use it to configure Rich or TensorBoard reports, combine reporters with ReportingOrchestrator, extract scalar measurements, add custom callbacks, or preserve per-system dynamics rows.
Why use it?
It separates high-level progress dashboards from durable event records, making it clearer how to observe long-running jobs. It also explains how reporting hooks work across training and dynamics workflows.

Skill for Claude CodeCodex

About the project

ALCHEMI Toolkit is a Python framework that uses GPUs to run atomic simulations and train machine-learned models for chemistry and materials science. Researchers and developers use it for molecular dynamics, geometry relaxation, and model training across one or multiple GPUs. Its catalogue add-ons guide coding agents in using the toolkit’s APIs and repository conventions.

NVIDIA/nvalchemi-toolkit · 159 stars · on GitHub

Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

agentmods
npx agentmods add skills/nvidia/nvalchemi-toolkit/nvalchemi-reporting
Any agent
npx skills add NVIDIA/nvalchemi-toolkit --skill nvalchemi-reporting
Clone the repo
git clone --depth 1 https://github.com/NVIDIA/nvalchemi-toolkit

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for nvalchemi-reporting

README.md
[![agentmods](https://agentmods.dev/badge/skills/nvidia/nvalchemi-toolkit/nvalchemi-reporting.svg)](https://agentmods.dev/skills/nvidia/nvalchemi-toolkit/nvalchemi-reporting)
Your own site
<a href="https://agentmods.dev/skills/nvidia/nvalchemi-toolkit/nvalchemi-reporting"><img src="https://agentmods.dev/badge/skills/nvidia/nvalchemi-toolkit/nvalchemi-reporting.svg" alt="Measured on agentmods" height="20"></a>
Per session 86 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 2,125 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. Scan, not verified.
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5 $0.00086 $0.02125
Opus 5 $0.00043 $0.01063
Sonnet 5 $0.00017 $0.00425
Haiku 4.5 $0.00009 $0.00213

Measured 5d ago against content hash 0e47cedbb114, method: parsed. Prices are Anthropic first-party input rates as of 2026-08-30, from the pricing page.

Security

Grade A, and why

nvalchemi-reporting scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 5d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

.claude/skills/nvalchemi-reporting/SKILL.md · 286 lines

How it starts

The opening of the file, as written. The whole thing — 286 lines — stays where its author put it; the contents beside it link to each section on GitHub.

nvalchemi Reporting

Overview

Use reporting for curated workflow summaries and dashboards. Use logging for direct event records such as per-system dynamics rows. See docs/userguide/reporting.md, docs/userguide/training.md, docs/userguide/dynamics.md, and docs/userguide/hooks.md for full details.

from nvalchemi.hooks import (
    ReportingOrchestrator,
    RichReporter,
    TensorBoardReporter,
)
from nvalchemi.dynamics.hooks import LoggingHook

Choose The Layer

Use ReportingOrchestrator when the user wants progress summaries, live Rich dashboards, TensorBoard scalar snapshots, rank reductions, or one observability hook that works across training, dynamics, and custom hook-enabled workflows. ReportingOrchestrator is the hook to register with hooks=[...] or register_hook(...); RichReporter, TensorBoardReporter, and custom Reporter objects are sinks owned by that hook and are not registered directly. Workflow engines enter and close hook context managers automatically during run(), so user code should not wrap reporting hooks manually in normal cases.

Use nvalchemi.dynamics.hooks.LoggingHook when the user wants a durable per-graph dynamics event stream. It computes dynamics observables such as energy, fmax, temperature, status, and graph index, then writes one row per system to CSV, TensorBoard, or a custom writer.

Do not reuse the dynamics LoggingHook as a training logger. For training, prefer reporters unless the task explicitly requires a raw training-event log; then implement a training-specific hook with the same hook protocol.


Training Pattern

Attach the ReportingOrchestrator as a normal training hook. Pick stages by enum name when the code already serializes hook specs or when avoiding imports in config files. Use AFTER_OPTIMIZER_STEP for high-frequency loss and learning-rate progress, and validation stages when summaries should align with validation output.

from nvalchemi.hooks import ReportingOrchestrator, RichReporter, TensorBoardReporter
from nvalchemi.training import CheckpointHook, TrainingStrategy

reporting = ReportingOrchestrator(
    [
        TensorBoardReporter("runs/example/tensorboard"),
        RichReporter(layout="training", refresh_per_second=2.0),
    ],
    stages={"AFTER_OPTIMIZER_STEP"},
    frequency=10,
)

strategy = TrainingStrategy(
    models=model,
    optimizer_configs=optimizer_config,
    loss_fn=loss_fn,
    hooks=[
        reporting,
        CheckpointHook("runs/example/checkpoints", epoch_interval=1),
    ],
    num_epochs=20,
)

strategy.run(train_loader)

Read the full file on GitHub · 286 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 5d ago First seen · 286 lines · 86 tokens per session scan A 0e47cedbb114

Subscribe to this mod's changes

nvalchemi-reporting is a skill published in the GitHub repository NVIDIA/nvalchemi-toolkit (159 stars, last pushed yesterday), licensed Apache-2.0. It adds 86 tokens to every session and 2,125 once invoked, about $0.0004 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

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