Dataset · Hugging Face

Seanmonami/mlip-stack-docker

Name: mlip-stack-docker
Creator: Seanmonami
License: mit
Keywords: license:mit, size_categories:10K<n<100K, modality:tabular, modality:text, region:us

MLIP Stack Docker (CPU) Ready-to-run Docker image bundling five machine-learning interatomic potential (MLIP) stacks in isolated conda environments. Built for CPU-only machines (no CUDA required). All environments use Python 3.11. Env name Stack Key packages grace GRACE (tensorpotential) tensorflow nequip NequIP / Allegro nequip, torch 2.12 (cpu) esen eSEN (fairchem) fairchem-core, torch 2.4.1 (cpu), torch_scatter/sparse tace2 TACE tace (git pin), torch 2.13… See the full description on the dataset page: https://huggingface.co/datasets/Seanmonami/mlip-stack-docker.

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Author / organization	Seanmonami
License (as declared)	mit
Downloads	412 (as reported by Hugging Face)
Likes	0
Created	22 August 2026
Last updated at source	24 September 2026

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