computational-chemistry
538
quantum-espresso-runner
Quantum ESPRESSO DFT skill for plane-wave pseudopotential calculations and materials simulation
a5c-ai
research
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computational-chemistry
538
tmb-msi-calculator
Tumor mutation burden and microsatellite instability calculation skill for immunotherapy biomarkers
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research
computational-chemistry
538
qiskit-quantum-simulator
Qiskit quantum computing skill for circuit design, simulation, and quantum algorithm development
a5c-ai
research
computational-chemistry
538
pyscf-quantum-chemistry
PySCF quantum chemistry skill for molecular calculations, coupled cluster, and multireference methods
a5c-ai
research
computational-chemistry
538
rdkit-chemoinformatics
RDKit chemoinformatics skill for molecular property calculation and compound library management
a5c-ai
research
computational-chemistry
538
meep-fdtd-simulator
MEEP electromagnetic FDTD simulation skill for photonic devices, metamaterials, and waveguides
a5c-ai
research
computational-chemistry
538
lammps-md-simulator
LAMMPS molecular dynamics simulation skill for atomistic simulations, force field setup, and large-scale parallel computations
a5c-ai
research
computational-chemistry
538
qiime2-microbiome-analyzer
QIIME2 microbiome analysis skill for 16S rRNA profiling and diversity analysis
a5c-ai
research
computational-chemistry
538
geant4-detector-simulator
Geant4 detector simulation skill for particle transport, detector geometry, and physics process modeling
a5c-ai
research
computational-chemistry
538
emcee-mcmc-sampler
emcee MCMC skill for Bayesian parameter estimation and posterior sampling in physics applications
a5c-ai
research
computational-chemistry
538
maxquant-processor
MaxQuant mass spectrometry skill for protein identification and quantification
a5c-ai
research
computational-chemistry
538
delphes-fast-simulator
Delphes fast detector simulation skill for phenomenological studies and BSM searches
a5c-ai
research
computational-chemistry
538
comsol-multiphysics-modeler
COMSOL finite element skill for multiphysics simulations including electromagnetics, heat transfer, and fluid dynamics
a5c-ai
research
computational-chemistry
538
mageck-crispr-analyzer
MAGeCK CRISPR screen analysis skill for gene essentiality scoring
a5c-ai
research
computational-chemistry
538
xrd-crystallography-analyzer
X-ray Diffraction skill for crystal structure, phase identification, and crystallite size analysis of nanomaterials
a5c-ai
research
computational-chemistry
538
uv-vis-nir-analyzer
UV-Vis-NIR spectroscopy skill for optical property characterization including plasmon resonance and bandgap analysis
a5c-ai
research
computational-chemistry
538
igv-genome-browser
IGV integration skill for interactive genome visualization and review
a5c-ai
research
computational-chemistry
538
targeting-ligand-designer
Active targeting skill for designing and validating nanoparticle targeting strategies
a5c-ai
research
computational-chemistry
538
stm-analyzer
Scanning Tunneling Microscopy skill for atomic-resolution imaging and local density of states measurements
a5c-ai
research
computational-chemistry
538
fusion-gene-detector
Gene fusion detection skill for oncology applications with multiple caller integration
a5c-ai
research