665,000+ skills indexed

SciMate AI

Official

@scimate-ai

12Followers

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8Public Repos

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197Published Skills

Offers a comprehensive library for scientific computing, bioinformatics, molecular modeling, and high-performance cluster orchestration.

🐙 GitHub ↗

Skills Distribution

Agent Skills by SciMate AI

Showing 197 vetted skills indexed across 2 GitHub repositories.

hpc-toolchains

Manage HPC build environments by selecting compilers and configuring CMake.

hpc-mpi

Guide building, debugging, and launching MPI applications in HPC environments.

hpc-gpu-stack

Automate CUDA toolchain setup, GPU-aware MPI, and scheduler integration for HPC workflows.

hpc-foundations

Provide foundational HPC knowledge covering architecture, schedulers, Linux, storage, and cloud.

hpc-spack

Manage and optimize Spack-based HPC software stacks with compiler, MPI, and external package configurations.

hpc-hypre

Optimize and troubleshoot hypre-based sparse solver workflows for HPC applications.

hpc-petsc

Configure and tune PETSc KSP, SNES, and TS solvers for linear, nonlinear, and time-dependent problems.

hpc-trilinos

Diagnose and optimize Trilinos solver workflows with CMake configuration guidance.

hpc-gmsh

Automate 2D and 3D mesh creation with Gmsh algorithms and export formats.

hpc-ls-dyna

Create and review LS-DYNA keyword decks for simulation workflows.

hpc-fenics

Generates PyLith or MODFLOW scripts forgeomineral exploration workflows.

hpc-openfoam

Automate OpenFOAM case creation, validation, and recovery for CFD workflows.

hpc-quantum-espresso

Automate Quantum ESPRESSO pw.x workflow setup, validation, and cluster execution.

hpc-lammps

Create, validate, and repair LAMMPS input decks with correct command ordering.

hpc-gaussian

Automate Gaussian input generation, validation, and restart-safe execution for quantum chemistry jobs.

hpc-vasp

Automate construction and validation of VASP four-file input workflows for HPC clusters.

hpc-paraview

Automate ParaView HPC post-processing pipelines with pvpython and pvbatch scripts.

hpc-calculix

Automate CalculiX FEM workflows from .inp deck creation to post-processing.

hpc-su2

Automate building, reviewing, and debugging SU2 CFD configurations for HPC cluster execution.

hpc-gromacs

Automates end-to-end HPC GROMACS workflows from preprocessing to analysis.

hpc-orchestration

Coordinate HPC job submission, monitoring, and recovery across Slurm, PBS, and LSF.

hpc-elmerfem

Automate ElmerFEM SIF workflow creation, validation, and debugging.

metabolomics-workbench-database

Query the Metabolomics Workbench REST API for compounds, studies, and RefMet-standardized metabolite names.

benchling-integration

Automate Benchling resource CRUD and data workflows via the SDK.

Frequently Asked Questions About SciMate AI

FAQPage Schema

What specific scientific tasks can I perform with these libraries?▼

You can execute end-to-end bioinformatics pipelines, perform molecular docking with DiffDock, run multi-objective optimization with pymoo, and orchestrate complex HPC simulations using standardized input decks for solvers like GROMACS, LAMMPS, and OpenFOAM.

Which technical personas benefit most from this registry?▼

Computational biologists, research software engineers, and data scientists working in drug discovery, genomics, or materials science will find these modules essential for standardizing research environments and connecting disparate biological databases.

Are these modules open-source and what are the runtime dependencies?▼

Most modules are open-source Python-based wrappers or interfaces for established scientific packages; runtime requirements typically include standard scientific stacks like NumPy, Pandas, and SciPy, alongside specific domain-dependent libraries like RDKit or Biopython.