universal-potentials

universal-potentials is a skill for Claude Code, Codex from SFETNI/Deep-Matter-Chem-Skills. It costs 4 tokens per session (14,380 once invoked), scanned A, original, MIT.

A guide to choosing and using pretrained machine-learning models that estimate interactions between atoms in new chemical systems.

In plain words
What is it for?
Use it to select among universal models, test their limitations, and apply them to structure relaxation, screening, pre-equilibration, ranking, or deciding whether fine-tuning is needed.
Why use it?
It helps decide whether an existing model can replace some costly quantum-mechanics calculations before creating a new training dataset.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it to select among universal models, test their limitations, and apply them to structure relaxation, screening, pre-equilibration, ranking, or deciding whether fine-tuning is needed.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/sfetni/deep-matter-chem-skills/universal-potentials
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.

Any agent
npx skills add SFETNI/Deep-Matter-Chem-Skills --skill universal-potentials
Clone the repo
git clone --depth 1 https://github.com/SFETNI/Deep-Matter-Chem-Skills

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 universal-potentials

README.md
[![agentmods](https://agentmods.dev/badge/skills/sfetni/deep-matter-chem-skills/universal-potentials/github.svg)](https://agentmods.dev/skills/sfetni/deep-matter-chem-skills/universal-potentials)
Your own site
<a href="https://agentmods.dev/skills/sfetni/deep-matter-chem-skills/universal-potentials"><img src="https://agentmods.dev/badge/skills/sfetni/deep-matter-chem-skills/universal-potentials/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for universal-potentials

Your own site · 80×15
<a href="https://agentmods.dev/skills/sfetni/deep-matter-chem-skills/universal-potentials"><img src="https://agentmods.dev/badge/skills/sfetni/deep-matter-chem-skills/universal-potentials.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 4 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 14,380 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
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 5.1 $0.00004 $0.14380
Opus 5 $0.00002 $0.07190
Sonnet 5 $0.00001 $0.02876
Haiku 4.5 $0.00000 $0.01438

Measured 11d ago against content hash 52d25a62e854, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-11, from the pricing page.

Security

Grade A, and why

universal-potentials 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 11d 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.

skills/ml-interatomic-potentials/universal-potentials/SKILL.md · 910 lines

How it starts

The opening of the file, as written. The whole thing — 910 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Universal Machine-Learned Interatomic Potentials

Description

This skill covers the selection, evaluation, and deployment of pretrained universal machine-learned interatomic potentials (universal MLPs) — models trained on large multi-element datasets that can be applied to new chemical systems without additional DFT labeling. It covers the major model families (MACE-MP, CHGNet, M3GNet, MatterSim, ORB, SevenNet), their supported chemistry and known limitations, practical use for relaxation, screening, pre-equilibration, structure ranking, and dataset triage, and the decision framework for choosing between a universal potential, fine-tuning, and training from scratch. Invoke this skill before committing to any new DFT dataset generation campaign, to establish whether a universal potential already achieves acceptable accuracy for the target application.

Domain Context

Universal MLPs are trained on databases of DFT calculations spanning a large fraction of the periodic table and a wide range of crystal structure types. The two dominant training databases are the Materials Project (MP) — approximately 150,000 relaxed inorganic crystal structures computed with PBE+U — and the Alexandria/OMAT24 databases that extend coverage to higher-energy configurations, surfaces, and molecular systems. [EXPERT REVIEW NEEDED: database coverage evolves rapidly; verify against the model release notes before deployment]

What universal training databases cover. Most universal potentials are trained on near-equilibrium inorganic crystals at 0 K (or modest finite-temperature MD snapshots) computed at the PBE or PBE+U level of DFT with PAW pseudopotentials. The training set is diverse in composition but concentrated in low-energy, periodic, charge-neutral, diamagnetic or ferromagnetic phases. Coverage of molecules, surfaces, defects, liquids, high-pressure polymorphs, mixed-valence compounds, and charged supercells is sparse or absent in the original training data of most models, though newer models (MatterSim, ORB-v2, MACE-MP-0b) have broader coverage. [EXPERT REVIEW NEEDED]

Read the full file on GitHub · 910 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. 11d ago First seen · 910 lines · 4 tokens per session scan A 52d25a62e854

Subscribe to this mod's changes

universal-potentials is a skill published in the GitHub repository SFETNI/Deep-Matter-Chem-Skills (6 stars, last pushed 1mo ago), licensed MIT. It adds 4 tokens to every session and 14,380 once invoked, about $0.0000 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 2026-08-31.

Related

Other skills, from other repositories

primekg

Query the Precision Medicine Knowledge Graph (PrimeKG) for multiscale biological relationships across genes and proteins, drugs, diseases, phenotypes, pathways, biological processes, exposures and anatomy. Use this skill to search entities by name, pull direct neighbours and their evidence types, summarise the local…

K-Dense-AI/drug-discovery-agent-skills · 121 tokens

fragment-based-count-matrix-generation

Use when you have a backed AnnData object containing processed fragment data (stored in .obsm['fragmentpaired'] or .

HolobiomicsLab/asb-skill-collections · 33 tokens

methylbase-object-handling

Use when after reading in per-sample methylation call files with methRead() and obtaining methylRawList objects, but before calculating differential methylation or performing annotation.

HolobiomicsLab/asb-skill-collections · 40 tokens

motif-annotation-correlation-analysis

Use when you have a chromVARDeviations object with multiple annotation sets (such as JASPAR motifs and kmers) and need to determine which annotation pairs are redundant (high correlation) versus synergistic (high synergy z-scores).

HolobiomicsLab/asb-skill-collections · 57 tokens

motif-database-query-and-matching

Use when you have a set of differentially accessible peaks (output from differential accessibility testing, e.g., tl.

HolobiomicsLab/asb-skill-collections · 32 tokens

motif-enrichment-statistical-testing

Use when after identifying a set of differentially accessible peaks (via tl.difftest or equivalent), when you need to infer which transcription factors may regulate the observed chromatin state changes.

HolobiomicsLab/asb-skill-collections · 44 tokens