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53,183
matching skills for this query
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computational-chemistry
538

quantum-espresso-runner

Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation

a5c-ai
a5c-ai
research
open
computational-chemistry
538

tmb-msi-calculator

Tumor mutation burden and microsatellite instability calculation skill for immunotherapy biomarkers

a5c-ai
a5c-ai
research
open
computational-chemistry
538

qiskit-quantum-simulator

Qiskit quantum computing skill for circuit design, simulation, and quantum algorithm development

a5c-ai
a5c-ai
research
open
computational-chemistry
538

pyscf-quantum-chemistry

PySCF quantum chemistry skill for molecular calculations, coupled cluster, and multireference methods

a5c-ai
a5c-ai
research
open
computational-chemistry
538

rdkit-chemoinformatics

RDKit chemoinformatics skill for molecular property calculation and compound library management

a5c-ai
a5c-ai
research
open
computational-chemistry
538

meep-fdtd-simulator

MEEP electromagnetic FDTD simulation skill for photonic devices, metamaterials, and waveguides

a5c-ai
a5c-ai
research
open
computational-chemistry
538

lammps-md-simulator

LAMMPS molecular dynamics simulation skill for atomistic simulations, force field setup, and large-scale parallel computations

a5c-ai
a5c-ai
research
open
computational-chemistry
538

geant4-detector-simulator

Geant4 detector simulation skill for particle transport, detector geometry, and physics process modeling

a5c-ai
a5c-ai
research
open
computational-chemistry
538

emcee-mcmc-sampler

emcee MCMC skill for Bayesian parameter estimation and posterior sampling in physics applications

a5c-ai
a5c-ai
research
open
computational-chemistry
538

maxquant-processor

MaxQuant mass spectrometry skill for protein identification and quantification

a5c-ai
a5c-ai
research
open
computational-chemistry
538

delphes-fast-simulator

Delphes fast detector simulation skill for phenomenological studies and BSM searches

a5c-ai
a5c-ai
research
open
computational-chemistry
538

comsol-multiphysics-modeler

COMSOL finite element skill for multiphysics simulations including electromagnetics, heat transfer, and fluid dynamics

a5c-ai
a5c-ai
research
open
computational-chemistry
538

mageck-crispr-analyzer

MAGeCK CRISPR screen analysis skill for gene essentiality scoring

a5c-ai
a5c-ai
research
open
computational-chemistry
538

xrd-crystallography-analyzer

X-ray Diffraction skill for crystal structure, phase identification, and crystallite size analysis of nanomaterials

a5c-ai
a5c-ai
research
open
computational-chemistry
538

uv-vis-nir-analyzer

UV-Vis-NIR spectroscopy skill for optical property characterization including plasmon resonance and bandgap analysis

a5c-ai
a5c-ai
research
open
computational-chemistry
538

igv-genome-browser

IGV integration skill for interactive genome visualization and review

a5c-ai
a5c-ai
research
open
computational-chemistry
538

targeting-ligand-designer

Active targeting skill for designing and validating nanoparticle targeting strategies

a5c-ai
a5c-ai
research
open
computational-chemistry
538

stm-analyzer

Scanning Tunneling Microscopy skill for atomic-resolution imaging and local density of states measurements

a5c-ai
a5c-ai
research
open
computational-chemistry
538

fusion-gene-detector

Gene fusion detection skill for oncology applications with multiple caller integration

a5c-ai
a5c-ai
research
open
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