Deepmd Train
jinzhezenggroup/computational-chemistry-agent-skillsTrain DeePMD-kit models with progressive disclosure. Use when the user wants to train a DeePMD-kit potential, prepare an input.json, choose between model families such as se_e2_a/DeepPot-SE and DPA3, run `dp train`, monitor learning curves, freeze checkpoints, or test trained models. Start with model selection and read only the selected model reference under `models/` when model-specific configuration is needed.
At a glance
This skill is for Coding and helps you train a deepmd-kit potential, prepare deepmd input configuration, and select and configure model families.
git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills
cp -r computational-chemistry-agent-skills/machine-learning-potentials/deepmd-train ~/.claude/skills/deepmd-train
Setup, runtime and requirements describe jinzhezenggroup/computational-chemistry-agent-skills, the repo this skill ships in.
Deepmd KitSe E2 ADpa3machine-learningmolecular-dynamicsPotential Training
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