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Skills IA business computational chemistry

Découvrez les skills business computational chemistry, comparez leurs dépôts et consultez leurs instructions.

Catégories: business computational chemistry

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Explorer

GitHub

swot-pestle-analysis

Prorise-cool

Strategic environmental analysis using SWOT, PESTLE, and Porter's Five Forces. Creates structured assessments with Mermaid visualizations for competitive positioning and strategic planning.

GitHub

pdbe-api

pemsley

Query the PDBe (Protein Data Bank in Europe) REST API and Solr search API from within Coot to access structure metadata, validation data, revision history, and search capabilities

GitHub

coot-rdkit

pemsley

RDKit molecular manipulation and visualization within Coot's Python environment. Use when working with Coot and need to (1) Create RDKit molecules from Coot monomers, (2) Modify molecular structures (e.g., atom...

GitHub

coot-refinement

pemsley

Best practices for protein structure refinement and validation in Coot. Use when performing (1) Residue refinement operations, (2) Model building and fitting, (3) Rotamer fixing, (4) Scripted/automated refineme...

GitHub

claude-scientific-skills

Microck

Comprehensive collection of 128+ ready-to-use scientific skills for Claude enabling research across biology, chemistry, medicine, genomics, and advanced analysis domains.

GitHub

packmol

aiskillstore

This skill should be used when the user asks to "create a packmol input", "pack molecules with packmol", "solvate a protein", "build an initial configuration", "setup molecular dynamics", or discusses molecular...

GitHub

attack-tree-construction

aiskillstore

Build comprehensive attack trees to visualize threat paths. Use when mapping attack scenarios, identifying defense gaps, or communicating security risks to stakeholders.

GitHub

reasoning-inductive

aiskillstore

Extract patterns and generalizations from multiple observations. Use when detecting recurring themes, building predictive rules, or identifying systemic behaviors from accumulated data. Produces validated patte...

GitHub

reasoningbank-adaptive-learning-with-agentdb

aiskillstore

Implement ReasoningBank adaptive learning with AgentDB for trajectory tracking, verdict judgment, memory distillation, and pattern recognition to build self-learning agents that improve decision-making through...

GitHub

firstprinciples

Steffen025

First principles analysis. USE WHEN first principles, fundamental, root cause, decompose. SkillSearch('firstprinciples') for docs.

GitHub

competitive-research

korallis

Research competitors, analyze market positioning, identify differentiators, and understand competitive landscape to inform product strategy and positioning. Use when researching competitors, analyzing features,...

GitHub

chai

adaptyvbio

Structure prediction using Chai-1, a foundation model for molecular structure. Use this skill when: (1) Predicting protein-protein complex structures, (2) Validating designed binders, (3) Predicting protein-lig...

GitHub

campaign-manager

adaptyvbio

Goal-oriented binder design campaign planning and health assessment. Use this skill when: (1) Planning a complete binder design campaign, (2) Converting high-level goals into runnable pipelines, (3) Assessing c...

GitHub

pdb

adaptyvbio

Fetch and analyze protein structures from RCSB PDB. Use this skill when: (1) Need to download a structure by PDB ID, (2) Search for similar structures, (3) Prepare target for binder design, (4) Extract specific...

GitHub

setup

adaptyvbio

First-time setup for protein design tools. Use this skill when: (1) User is new and hasn't run any tools yet, (2) Commands fail with "file not found" or "modal: command not found", (3) Modal authentication erro...

GitHub

binding-characterization

adaptyvbio

Guidance for SPR and BLI binding characterization experiments. Use when: (1) Planning binding kinetics experiments, (2) Troubleshooting poor/no binding signal, (3) Interpreting kinetic data artifacts, (4) Choos...

GitHub

binder-design

adaptyvbio

Guidance for choosing the right protein binder design tool. Use this skill when: (1) Deciding between BoltzGen, BindCraft, or RFdiffusion, (2) Planning a binder design campaign, (3) Understanding trade-offs bet...

GitHub

alphafold

adaptyvbio

Validate protein designs using AlphaFold2 structure prediction. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence...

GitHub

bindcraft

adaptyvbio

End-to-end binder design using BindCraft hallucination. Use this skill when: (1) Designing protein binders with built-in AF2 validation, (2) Running production-quality binder campaigns, (3) Using different desi...

GitHub

esm

adaptyvbio

ESM2 protein language model for embeddings and sequence scoring. Use this skill when: (1) Computing pseudo-log-likelihood (PLL) scores, (2) Getting protein embeddings for clustering, (3) Filtering designs by se...

GitHub

protein-design-workflow

adaptyvbio

End-to-end guidance for protein design pipelines. Use this skill when: (1) Starting a new protein design project, (2) Need step-by-step workflow guidance, (3) Understanding the full design pipeline, (4) Plannin...

Le classement utilise les étoiles du dépôt GitHub indexé. Plusieurs skills peuvent partager ce nombre : ce n’est ni un nombre d’installations ni une note de qualité.

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