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deepmd-python-inference
jinzhezenggroup/computational-chemistry-agent-skillsSkill
Run Python inference with DeePMD-kit models using the DeepPot API. Use when the user wants to load a trained/frozen DeePMD model (.pth or .pb) or a built-in pretrained model (e.g., DPA-3.2-5M) in Python, predict energy/force/virial for atomic configurations, evaluate descriptors, or calculate model deviation between multiple models. Also covers using `dp test` CLI for batch evaluation against labeled data.
Why this score
This repo hosts 10 skills, so its 153 stars are split between them (about 15 each) for scoring.
Popularity score: 61/100 from public GitHub signals only. It shows how widely used and maintained this is, not how well it works. Not included yet: the fake-star check. The security scan is shown separately and doesn't change the score. How we rank
Security
Scanned Oct 20, 2026 at commit 5c19e75b256d, with Cisco's open-source skill-scanner.
None of the patterns we list turned up: shell commands, network requests, reading environment variables, downloading and running code, or installing packages.
A scan lists patterns in the code. It can't prove an add-on is harmless, and it can miss things, so read what you install. How we scan
Alternatives
Other makers' add-ons that do the same job, next to this one.
| Name | Score | Stars | Context | Updated |
|---|---|---|---|---|
| This onedeepmd-python-inference jinzhezenggroup/computational-chemistry-agent-skills · Skill | 61 | ★ 153 | ≈108 always | 16d ago |
| deepmd-train deepmodeling/deepmd-kit · Skill Both about deepmd and pot | 75 | ★ 2.1k | ≈112 always | 16d ago |
| python-expert genkit-ai/genkit · Skill Both about python and load | 79 | ★ 6.5k | ≈29 always | 16d ago |
| server-inference Blaizzy/mlx-vlm · Skill Both about inference | 79 | ★ 5.6k | ≈81 always | 16d ago |
| verify-python mufeedvh/code2prompt · Skill Both about python | 79 | ★ 7.7k | ≈16 always | 19d ago |
| causal-inference-diagnostics atsushi-green/ds-ai-coding-skills · Skill Both about inference | 53 | ★ 91 | ≈27 always | 1mo ago |