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blockchain computational chemistry AI Skills

Discover blockchain computational chemistry skills, compare source repositories and read the instructions for each workflow.

Categories: blockchain computational chemistry

Showing 337–360 of 879

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GitHub

dqmc-parameter-scans

edwnh

Set up systematic DQMC parameter studies across temperature, interaction strength U, or chemical potential mu. Use when doing temperature sweeps, phase diagram calculations, or any grid of simulations.

GitHub

dqmc-analyze

edwnh

Extract physical observables with error estimates from completed DQMC simulations. Use when computing density, double occupancy, spin correlations, structure factors, or any measured quantity from simulation da...

GitHub

dqmc-advanced

edwnh

Advanced DQMC features including unequal-time measurements, analytic continuation, and queue system internals. Use when enabling dynamical correlations, performing MaxEnt continuation, or understanding HDF5 dat...

GitHub

mind-mirror

SimHacker

Personality modeling system based on Timothy Leary's 1985 software + The Sims traits

GitHub

causal-loop-microsim-generator

dmccreary

This skill generates interactive Causal Loop Diagram (CLD) MicroSims using the vis-network JavaScript library. Use this skill when users need to create causal loop diagrams for systems thinking education, showi...

GitHub

mcp-context-optimizer

ShunsukeHayashi

Optimize MCP tool context loading through progressive disclosure and hierarchical indexing. Use when working with large MCP tool sets (e.g., Miyabi's 172 tools) to prevent context window bloat. Triggers include...

GitHub

claude-light

jkitchin

Expert assistant for conducting remote experiments with Claude-Light - a web-accessible RGB LED and spectral sensor instrument for statistics, regression, optimization, and design of experiments

GitHub

vasp

jkitchin

Expert assistant for VASP (Vienna Ab initio Simulation Package) calculations - input file generation, parameter selection, workflow setup, and best practices for accurate DFT calculations

GitHub

pycalphad

jkitchin

Expert guidance for pycalphad - computational thermodynamics library implementing the CALPHAD method for calculating phase diagrams, phase equilibria, and thermodynamic properties of multicomponent materials sy...

GitHub

python-ase

jkitchin

Expert assistance with the Atomic Simulation Environment (ASE) Python library for atomistic simulations, including structure building, calculator setup, optimization, dynamics, and analysis

GitHub

materials-databases

jkitchin

Expert assistant for accessing materials databases (AFLOW and Materials Project) - query crystal structures, materials properties, thermodynamic data, and computational results from comprehensive databases

GitHub

materials-properties

jkitchin

Expert assistant for calculating materials properties from first-principles using ASE - structure relaxation, surface energies, adsorption, reaction barriers, phonons, elastic constants, and thermodynamic model...

GitHub

fairchem

jkitchin

Expert guidance for Meta's FAIRChem library - machine learning methods for materials science and quantum chemistry using pretrained UMA models with ASE integration for fast, accurate predictions

GitHub

powerful-framework

Salesably

Applies the POWERFUL deal qualification framework to analyze sales opportunities. Use this skill when qualifying deals, assessing opportunity strength, identifying gaps in deal intelligence, or coaching sales t...

GitHub

statistical-analyzer

dkyazzentwatwa

Perform statistical hypothesis testing, regression analysis, ANOVA, and t-tests with plain-English interpretations and visualizations.

GitHub

analyze-equations

mvillmow

Parse and interpret mathematical equations from research papers. Use when extracting formulas for implementation.

GitHub

model-compare

rawwerks

Compare 3D CAD models using boolean operations (IoU, Dice, precision/recall). Use when evaluating generated models against gold references, diffing CAD revisions, or computing similarity metrics for ML training...

GitHub

gcell-pathway

GET-Foundation

Pathway enrichment analysis using gcell. Use this skill when users ask about: - Gene set enrichment analysis - GO (Gene Ontology) enrichment - KEGG pathway analysis - Reactome pathway enrichment - Custom pathwa...

GitHub

gcell-chipatlas

GET-Foundation

ChIP-Atlas epigenome data query using gcell. Use this skill when users ask about: - Finding ChIP-seq, ATAC-seq, or DNase-seq experiments - Searching for transcription factor binding data - Finding histone modif...

The default order uses GitHub repository stars from our indexed data. Stars belong to the source repository and may be shared by multiple skills. They indicate repository interest, not skill installs or an independent quality score.

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