Atomistic Skills
Agent skills for atomistic simulation: materials science, chemistry, drug discovery, and machine-learning interatomic potentials.
Plugin bundle · by Learning Matter Lab, MIT
About
Atomistic Skills is a plugin bundle for AI coding tools published by Learning Matter Lab, MIT. Marketplaces we read that list it: 1 (Community GitHub marketplaces). The last change we recorded was on 2026-10-29. As of our marketplace pass on 2026-11-02.
What it asks for
- Installs as a plugin bundle
- Settings: 4
What it declares, asks for and runs, in full
Only install plugins from developers you trust. We list what marketplaces publish and do not test plugins.
Works with
- Claude Code
From the marketplaces that list it and the MCP transport it declares, as each client documents them. We do not test plugins.
Connect
Commands and configs built only from what its marketplaces declare. We do not run them for you and do not test plugins.
As a Claude Code plugin
Built from what Community GitHub marketplaces declares.
/plugin marketplace add learningmatter-mit/atomisticskills
/plugin install atomistic-skills@atomistic-skillsWhere it is published
| Marketplace | Status | Version | Figures | Verified | First seen |
|---|---|---|---|---|---|
| Community marketplace learningmatter-mit/atomisticskills (Open the source on GitHub) | Listed | 2.0.0 | Forks (GitHub): 33 Stars (GitHub): 186 |
Not marked |
Each figure is the marketplace's own and is never added up across marketplaces. A marketplace that publishes no figure shows none: no number is not zero.
Listed in one community marketplace
| Marketplace | Repository | Stars (GitHub) |
|---|---|---|
| atomistic-skills | learningmatter-mit/atomisticskills | 186 |
How its figures have moved
- 2026-10-2732
- 2026-10-2933
- 2026-11-0233
- 2026-10-27186
- 2026-11-02186
Each dot is a day we read a different number; flat stretches are days the number did not move. Figures of different marketplaces are never added up.
What the bundle contains
As published on Community GitHub marketplaces.
MCP servers: 10
aditatomate2basediffcspdrugdiscfairchemmacematglmattergensmol
Skills: 133
chem-bond-dissociationchem-conformer-searchchem-db-mofchem-db-qmofchem-db-spectrachem-dft-orca-advanced-calculationchem-dft-orca-optimizationchem-dft-orca-singlepointchem-docking-voidchem-hazard-toxicitychem-irc-verificationchem-msms-predict
Show the remaining 121
chem-neb-barrierchem-nmr-analysischem-nmr-predictchem-react-otchem-similarity-searchchem-solution-mdchem-sorption-gcmcchem-sorption-relaxchem-sorption-widomchem-spectrum-matcherchem-thermochemistrychem-ts-optimizationchem-vibrationdrug-admet-predictiondrug-binding-site-definitiondrug-bioactivity-assaydrug-complex-system-builderdrug-db-chembldrug-db-pdbdrug-db-pubchemdrug-docking-analysisdrug-docking-vinadrug-ligand-prepdrug-mmpbsa-gbsadrug-molecular-fingerprintsdrug-pocket-detectiondrug-pose-validationdrug-protein-ligand-mddrug-protein-prepdrug-redocking-rmsddrug-retrosynthesisdrug-trajectory-analysisgeneral-arxiv-searchgeneral-atomisticskills-rulesgeneral-atomisticskills-setupgeneral-biorxiv-searchgeneral-chemical-literaturegeneral-chemical-pricinggeneral-deep-researchgeneral-fair-data-reviewgeneral-patent-searchgeneral-peer-reviewgeneral-plot-digitizergeneral-presentationgeneral-property-unitsgeneral-publisher-access-guardgeneral-query-literature-databasegeneral-workflow-plannermat-amorphizationmat-calphad-phase-diagrammat-calphad-property-diagrammat-db-mpmat-db-nist-janafmat-db-optimademat-defect-energymat-defect-energy-dftmat-dft-electron-phononmat-dft-electronic-transportmat-dft-ferroelectricmat-dft-lobstermat-dft-mixing-functionalsmat-dft-vaspmat-dielectric-responsemat-diffusion-analysismat-disordermat-edi-mobilitymat-elasticitymat-electrochemical-windowmat-electronic-structuremat-elemental-energiesmat-epw-mobilitymat-equation-of-statemat-grain-boundarymat-grand-canonical-mcmat-intercalation-voltagemat-ionic-substitutionmat-kinetic-monte-carlomat-lammps-mdmat-lattice-thermal-conductivitymat-magnetic-densitymat-md-monitorsmat-md-probability-densitymat-melting-pointmat-phase-diagrammat-phase-field-conservativemat-phase-field-non-conservativemat-phononmat-pourbaix-diagrammat-qha-thermal-expansionmat-raman-spectramat-random-structure-searchmat-reaction-networkmat-sample-pes-by-mdmat-solid-free-energymat-stabilitymat-structure-noveltymat-surface-adsorptionmat-surface-energymat-synthesis-extractionmat-synthesis-recommendationmat-wannier-tight-bindingmat-xrd-calculatormat-xrd-digitizermat-xrd-phase-analysismat-xrd-refinementml-bayesian-optimizationml-cluster-expansionml-committee-uncertaintyml-fairchem-finetuneml-foundation-potentialsml-generative-aditml-generative-diffcspml-generative-mattergenml-mace-finetuneml-matgl-finetuneml-mlip-automlml-mlip-benchmarkml-mlip-nvalchemiml-mlip-speedml-property-predict-scdml-property-predictor
What changed
- Became a product we track
- Community GitHub marketplaces: appeared
Similar plugins
Products whose own names, descriptions, tools and skills are closest in meaning to this one, on every marketplace we read. Closeness is ranked within this list only.
-
Predict structures, screen molecules and proteins, and design binders.
-
Predict structures, screen molecules and proteins, and design binders with Boltz from Claude Code.
-
chemistry-research
Cheminformatics, molecular modelling and research reporting.
-
chemistry com.covasyn/chemistry
Deterministic MCP for AI agents: drug discovery, ADMET, docking, LNPs, DoE, retrosynthesis, ICH M7
-
Materials simulations for AI agents over MCP: binding token quote before every run, record after it.
-
chemistry-and-drug-discovery
Cheminformatics, molecular modelling, protein design and pharmacology.
-
Corollary — scientific AI models, tools and databases
Find open biology and chemistry AI models, bioinformatics tools and databases, and run them online.
-
Design experiments and make predictions for materials & chemicals properties in your local agent
-
chembl-mcp io.github.mrfentmen/chembl-mcp
Drug molecules and bioactivity from the ChEMBL database. No key required.
Similar plugins by marketplace
The same question asked of one marketplace at a time: is there an analog of this plugin there?
Has a listing on Claude Code: claude-plugins-community (5)
-
Predict structures, screen molecules and proteins, and design binders with Boltz from Claude Code.
-
197 ready-to-use life sciences skills that turn Claude into a domain expert for genomics, proteomics, drug discovery, biostatistics, scientific computing, and scientific writing…
-
msds-chain io.github.littleblakew/msds-chain
Chemical safety intelligence — 24 tools: compatibility, hazards, PPE, compliance, SDS lookup
-
Arquestra — Scientific Computing Orchestration
AI orchestration for computational chemistry and HPC workflows.
-
Bring Biochar Optimizer Pro into Claude — pyrolysis simulation, feedstock comparison, AI-powered lab-analysis PDF extraction, and multi-methodology scoring against Puro.earth…
Has a listing on Claude Code: claude-plugins-official (5)
-
Predict structures, screen molecules and proteins, and design binders with Boltz from Claude Code.
-
Find the right NVIDIA skill for GPU acceleration, CUDA, AI agents, data loading, training, inference, robotics, Physical AI, Omniverse, simulation, and other NVIDIA-powered…
-
Skills for adding DeepEval evaluations, tracing, datasets, Confident AI reports, and iterative improvement loops to AI applications.
-
Comprehensive development workflow for building AI agents with the Atomic Agents framework. Includes specialized agents for schema design, architecture planning, code review, and…
-
Build multimodal AI applications with Pixeltable -- tables, computed columns, embedding search, UDFs, tool-calling agents, and 25+ AI provider integrations.
Has a listing on Claude: knowledge-work-plugins (5)
-
Connect to preclinical research tools and databases (literature search, genomics analysis, target prioritization) to accelerate early-stage life sciences R&D
-
Evidence-backed BioPharma research workflows over Maven Bio's drug, trial, company, and deal knowledge graph. Skills for competitive pipelines, indication landscapes, asset…
-
Build multimodal AI applications with Pixeltable -- tables, computed columns, embedding search, UDFs, tool-calling agents, and 25+ AI provider integrations.
-
DataRobot skills for AI/ML workflows — model training, deployment, predictions, feature engineering, monitoring, explainability, data preparation, App Framework CI/CD, and…
-
Give Claude a real browser — your Chrome or a Browser Use Cloud browser. Use it whenever a task involves a website or web app: browsing, scraping and data extraction, filling…
Has a listing on Codex: openai-curated (openai/plugins) (5)
-
Predict structures, screen molecules and proteins, and design binders.
-
General life-sciences research workflows with query routing, evidence synthesis, and optional parallel subagent analysis across genetics, omics, biology, chemistry, structure…
-
Skills for NVIDIAs ecosystem spans GPU acceleration, CUDA, AI agents, inference, robotics, Physical AI, Omniverse, and simulation. This plugin helps you understand the pieces…
-
Evaluate Codex skills and plugins from chat with a beginner-friendly start command, local-first reports, token budget explanations, and guided benchmarking.
-
Build with OpenAI APIs, Agents SDK, and ChatGPT Apps, and create and save OpenAI API keys from Codex.
Has a listing on Community GitHub marketplaces (3)
-
chemistry-research
Cheminformatics, molecular modelling and research reporting.
-
chemistry-and-drug-discovery
Cheminformatics, molecular modelling, protein design and pharmacology.
-
197 ready-to-use life sciences skills that turn Claude into a domain expert for genomics, proteomics, drug discovery, biostatistics, scientific computing, and scientific writing…
Has a listing on Copilot CLI: github/awesome-copilot (5)
-
Three-layer verification pipeline for AI output. Extracts claims, finds sources, and flags hallucination risks so humans can verify before acting.
-
Task Researcher and Task Planner for intermediate to expert users and large codebases - Brought to you by microsoft/edge-ai
-
Run a lightweight, role-separated AI development team with flexible tools, developer-selected models, proportionate planning, and optional QA.
-
Multi-model council for Copilot CLI: three subagents on different model families (Anthropic, OpenAI, Google) answer independently, then build on each other or attack the leading…
-
Safe BLE diagnostics, evidence workflows, and guarded automation for AI agents.
Has a listing on Copilot CLI: github/copilot-plugins (5)
-
Toolkit for building Microsoft 365 Copilot declarative agents — scaffolding, JSON manifest development, and capability configuration.
-
Build Power Apps Canvas Apps using the Canvas Authoring MCP server.
-
model-apps
Build and deploy Power Apps generative pages for model-driven apps with specialist agents for planning, entity creation, and parallel code generation. Requires PAC CLI >= 2.7.0…
-
workiq
Query Microsoft 365 data with natural language — emails, meetings, documents, Teams messages, and more.
-
Advanced Security plugin for GitHub Copilot.
Has a listing on Cursor: cursor/plugins (5)
-
Iterative self-referential AI loops using the Ralph Wiggum technique.
-
Ask Databricks Genie questions about your workspace's data in plain language.
-
Enrich people and companies, run AI research agents.
-
Fan large tasks out across parallel cloud agents with planners, workers, verifiers, and structured handoffs.
-
Incremental transcript-driven memory updates for AGENTS.md using high-signal bullet points only.
Has a listing on Docker MCP Catalog (5)
-
Read and score Opik traces, experiments, datasets and prompts from your AI assistant.
-
Connect your chat repl to wolfram alpha computational intelligence.
-
The Official Model Context Protocol (MCP) server for Kagi Search & other tools.
-
Real-time web search, reasoning, and research through Perplexity's API
-
Production-ready RAG service to search and retrieve data from your documents.
Has a listing on Official MCP Registry (5)
-
chemistry com.covasyn/chemistry
Deterministic MCP for AI agents: drug discovery, ADMET, docking, LNPs, DoE, retrosynthesis, ICH M7
-
Materials simulations for AI agents over MCP: binding token quote before every run, record after it.
-
Corollary — scientific AI models, tools and databases
Find open biology and chemistry AI models, bioinformatics tools and databases, and run them online.
-
Design experiments and make predictions for materials & chemicals properties in your local agent
-
chembl-mcp io.github.mrfentmen/chembl-mcp
Drug molecules and bioactivity from the ChEMBL database. No key required.
Has a listing on PyPI (MCP servers) (5)
-
Molecule names or SMILES to 2D structures, reactions, mechanisms, spectra - offline via RDKit.
-
MCP server for AlphaFold and 8 other biomedical data sources with a local SQLite knowledge graph
-
Connect AI assistants to openLCA. 35 tools for database search, model building, and LCIA.
-
Read and score Opik traces, experiments, datasets and prompts from your AI assistant.
-
perplexity com.mcparmory/perplexity
Search the web, generate AI responses, and create embeddings with real-time information
Has a listing on npm registry (MCP servers) (5)
-
pubchem-mcp-server io.github.cyanheads/pubchem-mcp-server
Search PubChem compounds, properties, safety data, bioactivity, and cross-references.
-
chembl-mcp-server io.github.cyanheads/chembl-mcp-server
Link compounds to protein targets, rank bioactivity, and look up drug mechanisms and indications.
-
140 deterministic tools for your AI: logs, tests, SQL, diagrams, SPARQL. Local, no network.
-
rftools io.github.antonpogrebenko-public/rftools
255 RF & electronics calculators + 13 simulation tools for AI agents.
-
pubcrawl io.github.nickjlamb/pubcrawl
PubMed & Europe PMC literature search, US/UK drug labelling, and clinical trials for AI assistants.
Found by meaning, not by shared code or a shared repository: similar plugins stay separate products, and this is not a review or a recommendation.
Want this mark on your plugin in our catalog?
Prove you maintain it with a file in its repository, a file on your domain or a DNS record, and you can show this mark on the card, with live banners for your site and README. How verification works
You also get alerts when a marketplace lists it, drops it, changes its verified mark or what it asks for, and its remote endpoint goes on monitoring as a web service.
Data comes from public marketplace files in GitHub repositories of their authors. Figures come from our own regular passes over the marketplaces, last read on . We publish no contact details for plugin publishers.