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Skills IA tools computational chemistry
Découvrez les skills tools computational chemistry, comparez leurs dépôts et consultez leurs instructions.
Catégories: tools computational chemistry
tools computational chemistry Effacer les filtres
Explorer
GitHub
phase-locking
Fixed phase relationship in oscillators
GitHub
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.
GitHub
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...
GitHub
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...
GitHub
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,...
GitHub
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...
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.