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Layer 4: IES Interactome Analytics with GF(3) Momentum Tracking
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tools computational chemistry AI Skills
Discover tools computational chemistry skills, compare source repositories and read the instructions for each workflow.
Categories: tools computational chemistry
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phase-locking
Fixed phase relationship in oscillators
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julia-scientific
Julia package equivalents for 137 K-Dense-AI scientific skills. Maps Python bioinformatics, chemistry, ML, quantum, and data science packages to native Julia ecosystem.
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crn-topology
Chemical Reaction Network topology for generating and analyzing reaction
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jacobian
Matrix of partial derivatives for linearization
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eigenvalue-stability
Stability classification via Jacobian eigenvalues
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propagators
Sussman/Radul propagator networks for constraint propagation and bidirectional
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sicmutils
SICMUtils/Emmy - Clojure library for symbolic mathematics, automatic differentiation, and classical mechanics. Bridges SICM concepts to executable computation via SRFI-compatible abstractions.
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saddle-node
Bifurcation creating/destroying equilibrium pair
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pkg-memory-bridge
Bridge to PKG systems (Mem0, Graphiti, Solid PODs, Logseq) for individuated information indices
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turing-chemputer
Cronin's Turing-complete chemputer for programmable chemical synthesis
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investigate
Deep analytical investigation mode using Bayesian reasoning, superforecasting techniques, and rigorous hypothesis testing. Combines methods from Kahneman, Tetlock, Peirce, and Feynman. Use when user invokes /in...
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deal-tracker
Track pharmaceutical M&A, licensing, and investment deals. Use for competitive intelligence, market analysis, and identifying partnership opportunities. Keywords: deals, M&A, licensing, partnership, collaborat...
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virtual-screening
Molecular docking and virtual screening for drug discovery. Use for screening compound libraries against protein targets, predicting binding affinities, and identifying lead candidates. Keywords: docking, virt...
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pipeline-tracker
Global drug development pipeline tracking by disease, target, mechanism, or company. Use for competitive intelligence, opportunity identification, and trend analysis. Keywords: pipeline, drug development, clin...
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clinical-intelligence
Deep analysis of clinical trials including design, enrollment, outcomes, and competitive positioning. Use for trial monitoring, landscape analysis, and competitive intelligence. Keywords: clinical, trials, NCT...
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target-profile
Generate comprehensive target profiles including druggability assessment, disease associations, pathway context, and competitive landscape. Use this skill when analyzing drug targets for validation, dossier cr...
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compound-profile
Generate comprehensive compound profiles including structure, properties, bioactivity, and development status. Use for drug analysis, SAR studies, and competitive profiling. Keywords: compound, drug, molecule,...
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alert-system
Automated alert system for key events in drug discovery. Use for tracking competitor milestones, clinical trial updates, regulatory decisions, and publications of interest. Keywords: alerts, monitoring, tracki...
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target-competition
Analyze target competitive landscape including existing drugs, pipeline companies, differentiation opportunities, and market maturity assessment. Keywords: target competition, landscape, differentiation, pipel...
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target-validation
Comprehensive target validation assessing druggability, disease association strength, tractability, and competitive landscape. Use for go/no-go decisions on target selection. Keywords: target validation, drugg...
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competitor-landscape
Analyze competitive landscape for drugs including clinical pipeline, mechanism of action, development status, and company profiles. Use this skill for competitive intelligence, pipeline tracking, market analys...
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admet-prediction
ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) prediction for drug candidates. Use for assessing drug-likeness, PK properties, and safety risks early in drug discovery. Keywords: ADMET, PK,...
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target-safety
Target safety assessment including known toxicities, essentiality, and off-target concerns. Use for early safety risk evaluation and target selection. Keywords: target safety, toxicity, essential gene, knockou...
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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.