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jinzhezenggroup

47 skillsAvg Trust: 43158 total stars
Repositories (2)
jinzhezenggroup/computational-chemistry-agent-skills155 stars43 skillsjinzhezenggroup/xtbloom3 stars4 skills
47 skills
dpdisp-submitSemi-Ext
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 69145 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
static
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Prepare GPAW static SCF task inputs/scripts from a user-provided structure and essential DFT settings. Use when the user needs sin...
Trust: 40145 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.02d ago
relax
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40129 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.11mo ago
agent-taskboard-manifest
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
antechamber
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
ase
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
ase-calculators
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
ase-workflows
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
band
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.011d ago
create-skill
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
deepmd-finetune-dpa3
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.024d ago
deepmd-python-inference
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Run Python inference with DeePMD-kit models using the DeepPot API. Use when the user wants to load a checkpoint, frozen model (.pb...
Trust: 40155 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.17d ago
dft-abinit
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.011d ago
dft-cp2k
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
dft-gpaw
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.026d ago
dft-qe
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
dft-siesta
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
dft-vasp
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
dftbplus
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
dos
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
dpdata-cli
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 67118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
dpdata-driver
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.011d ago
dpdata-minimizer
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.011d ago
dpgen-simplify
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Prepare, explain, validate, and run DP-GEN simplify workflows for reducing repeated or redundant DeepMD datasets. Use when the use...
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.17d ago
gjf-flux
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
gpaw
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
lammps-deepmd
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A tool and knowledge base for running molecular dynamics (MD) simulations in LAMMPS with the DeePMD-kit plugin. It handles input s...
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.17d ago
lammps-reaxff
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
mace
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago
md
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jinzhezenggroup/computational-chemistry-agent-skills
Trust: 40118 starsjinzhezenggroup/computational-chemistry-agent-skillsv1.0.01mo ago