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325,949 rows, by stacks then stars

  • Reacnetgenerator

    jinzhezenggroup/computational-chemistry-agent-skills/analysis/reacnetgenerator Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Ase

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Ase calculators

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-calculators Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Gpaw

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-calculators/gpaw Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Mace

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-calculators/mace Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Ase workflows

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-workflows Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Md

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-workflows/md Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Neb

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-workflows/neb Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Relax

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-workflows/relax Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Static

    jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-workflows/static Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dpdata cli

    jinzhezenggroup/computational-chemistry-agent-skills/data-processing/dpdata-cli Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Openbabel

    jinzhezenggroup/computational-chemistry-agent-skills/data-processing/openbabel Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Packmol generate mixture

    jinzhezenggroup/computational-chemistry-agent-skills/data-processing/packmol-generate-mixture Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Pymatgen structure

    jinzhezenggroup/computational-chemistry-agent-skills/data-processing/pymatgen-structure Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Deepmd finetune dpa3

    jinzhezenggroup/computational-chemistry-agent-skills/machine-learning-potentials/deepmd-finetune-dpa3 Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Deepmd python inference

    jinzhezenggroup/computational-chemistry-agent-skills/machine-learning-potentials/deepmd-python-inference Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Deepmd train

    jinzhezenggroup/computational-chemistry-agent-skills/machine-learning-potentials/deepmd-train Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dpgen simplify

    jinzhezenggroup/computational-chemistry-agent-skills/machine-learning-potentials/dpgen-simplify Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Rdkit conf

    jinzhezenggroup/computational-chemistry-agent-skills/molecular-conformer/rdkit-conf Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Antechamber

    jinzhezenggroup/computational-chemistry-agent-skills/molecular-dynamics/antechamber Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Lammps deepmd

    jinzhezenggroup/computational-chemistry-agent-skills/molecular-dynamics/lammps-deepmd Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Lammps reaxff

    jinzhezenggroup/computational-chemistry-agent-skills/molecular-dynamics/lammps-reaxff Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Rdkit repr

    jinzhezenggroup/computational-chemistry-agent-skills/molecular-representation/rdkit-repr Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Unimol

    jinzhezenggroup/computational-chemistry-agent-skills/molecular-representation/unimol Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dft abinit

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-abinit Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Electronic

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-abinit/electronic Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Md

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-abinit/md Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Relax

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-abinit/relax Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Static

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-abinit/static Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dft cp2k

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-cp2k Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Electronic

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-cp2k/electronic Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Md

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-cp2k/md Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Relax

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-cp2k/relax Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Static

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-cp2k/static Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dft gpaw

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-gpaw Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Band

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-gpaw/band Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dos

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-gpaw/dos Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Relax

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-gpaw/relax Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Static

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-gpaw/static Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dft qe

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-qe Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dft siesta

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-siesta Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Electronic

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-siesta/electronic Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Md

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-siesta/md Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Relax

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-siesta/relax Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Static

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-siesta/static Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dft vasp

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-vasp Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Band

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-vasp/band Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dos

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-vasp/dos Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Relax

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-vasp/relax Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Static

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dft-vasp/static Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dftbplus

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dftbplus Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Electronic

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dftbplus/electronic Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Md

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dftbplus/md Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Relax

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dftbplus/relax Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Static

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/dftbplus/static Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Gjf flux

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/gjf-flux Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Run gauss

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/run-gauss Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Xtb

    jinzhezenggroup/computational-chemistry-agent-skills/quantum-chemistry/xtb Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dpdata driver

    jinzhezenggroup/computational-chemistry-agent-skills/tools/dpdata-driver Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw

  • Dpdata minimizer

    jinzhezenggroup/computational-chemistry-agent-skills/tools/dpdata-minimizer Skill

    125★ repo

    Agent skills to run computational-chemistry tasks, used in OpenClaw