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Chemistry

Molecular modeling and reactions.

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computational-chemistry
7

adr-review

Reviews implemented ADRs by comparing them against actual implementation and updating feedback sections. Use this when the user wants to review an ADR implementation, validate architectural decisions, or update ADR feedback logs.

cmd-llm
cmd-llm
research
open
computational-chemistry
7

first-icu-stay

Identify first ICU stays and first hospital admissions in MIMIC-IV for cohort selection. Use to exclude readmissions, create independent observations, or build adult patient cohorts.

hannesill
hannesill
research
open
computational-chemistry
7

pycalphad

Expert guidance for pycalphad - computational thermodynamics library implementing the CALPHAD method for calculating phase diagrams, phase equilibria, and thermodynamic properties of multicomponent materials systems using thermodynamic databases (TDB files)

jkitchin
jkitchin
research
open
computational-chemistry
7

linear-solvers

Select and configure linear solvers for systems Ax=b across dense and sparse problems. Use when choosing direct vs iterative methods, diagnosing convergence issues, estimating conditioning, or selecting preconditioners for large-scale simulations.

HeshamFS
HeshamFS
research
open
computational-chemistry
7

lods-score

Calculate LODS (Logistic Organ Dysfunction Score) for ICU patients in MIMIC-IV. Use for organ dysfunction assessment across 6 systems with weighted scoring.

hannesill
hannesill
research
open
computational-chemistry
7

sirs-criteria

Calculate SIRS (Systemic Inflammatory Response Syndrome) criteria for ICU patients in MIMIC-IV. Use for historical sepsis definitions, inflammatory response assessment, or research comparing SIRS vs Sepsis-3.

hannesill
hannesill
research
open
computational-chemistry
7

fairchem

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

jkitchin
jkitchin
research
open
computational-chemistry
7

apsiii-score

Calculate APACHE III (Acute Physiology Score III) for ICU patients in MIMIC-IV. Use for mortality prediction, severity stratification, case-mix adjustment, or risk-adjusted outcome comparisons.

hannesill
hannesill
research
open
computational-chemistry
7

sofa-score

Calculate SOFA (Sequential Organ Failure Assessment) score for ICU patients in MIMIC-IV. Use for sepsis severity assessment, organ dysfunction quantification, mortality prediction, or Sepsis-3 criteria evaluation.

hannesill
hannesill
research
open
computational-chemistry
7

oasis-score

Calculate OASIS (Oxford Acute Severity of Illness Score) for ICU patients in MIMIC-IV. Use for mortality prediction with fewer variables than APACHE/SAPS, or when lab data is limited.

hannesill
hannesill
research
open
computational-chemistry
7

mashup

Force-fit patterns from other domains to spark novel concepts.

NickCrew
NickCrew
research
open
computational-chemistry
7

lunar-landers-expert

Specialized skill for analyzing lunar lander interface specifications and payload capacity within the LORS framework.

Official-MoonDao
Official-MoonDao
research
open
computational-chemistry
7

sapsii-score

Calculate SAPS-II (Simplified Acute Physiology Score II) for ICU patients in MIMIC-IV. Use for mortality prediction, severity assessment, or international ICU benchmarking.

hannesill
hannesill
research
open
computational-chemistry
7

gcs-calculation

Extract and calculate Glasgow Coma Scale (GCS) for ICU patients in MIMIC-IV. Use for neurological assessment, consciousness monitoring, or trauma severity scoring.

hannesill
hannesill
research
open
computational-chemistry
7

baseline-creatinine

Estimate baseline serum creatinine for AKI assessment in MIMIC-IV. Use for KDIGO staging, AKI research, or renal function baseline establishment.

hannesill
hannesill
research
open
computational-chemistry
7

python-ase

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

jkitchin
jkitchin
research
open
computational-chemistry
7

vasopressor-equivalents

Calculate norepinephrine-equivalent dose for vasopressor comparison in MIMIC-IV. Use for hemodynamic support quantification, shock severity assessment, or vasopressor weaning studies.

hannesill
hannesill
research
open
computational-chemistry
7

patent-application-creator

Complete end-to-end patent application creation from invention disclosure to USPTO-ready filing - prior art search, claims drafting, specification writing, diagrams, compliance checking

RobThePCGuy
RobThePCGuy
research
open
computational-chemistry
7

kdigo-aki-staging

Calculate KDIGO AKI (Acute Kidney Injury) staging for ICU patients in MIMIC-IV using creatinine and urine output criteria. Use for nephrology research, AKI outcome studies, or renal function monitoring.

hannesill
hannesill
research
open
computational-chemistry
6

prd-v03-moat-definition

Assess competitor defensibility and define our own moat strategy during PRD v0.3 Commercial Model. Triggers on requests to analyze competitor moats, define our defensibility, assess switching costs, identify vulnerabilities, find wedge opportunities, or when user asks "what's our moat?", "how defensible are they?", "where can we compete?", "switching costs?", "defensibility", "who to target". Consumes Competitive Landscape (v0.2) CFD- entries. Outputs CFD- entries for competitor moats and BR- entries for targeting rules and our defensibility strategy.

mattgierhart
mattgierhart
research
open
computational-chemistry
6

threat-model-generator

Creates comprehensive threat models using STRIDE methodology with asset identification, threat enumeration, mitigation strategies, and residual risk assessment. Use for "threat modeling", "security analysis", "STRIDE", or "risk assessment".

patricio0312rev
patricio0312rev
research
open
computational-chemistry
6

hiring-helper

Screen job candidates using AI-powered evaluation. Use when asked to "screen candidates", "review applicants", "evaluate candidates", or when reviewing resumes and applications.

dazuck
dazuck
research
open
computational-chemistry
6

evaluation-harness

Builds repeatable evaluation systems with golden datasets, scoring rubrics, pass/fail thresholds, and regression reports. Use for "LLM evaluation", "testing AI systems", "quality assurance", or "model benchmarking".

patricio0312rev
patricio0312rev
research
open
computational-chemistry
6

healthsim-rxmembersim

RxMemberSim generates realistic synthetic pharmacy data for testing PBM systems, claims adjudication, and drug utilization review. Use when user requests: (1) pharmacy claims or prescription data, (2) DUR alerts or drug interactions, (3) formulary or tier cohorts, (4) pharmacy prior authorization, (5) NCPDP formatted output.

mark64oswald
mark64oswald
research
open
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