scaffold-first

EliasHossain/scaffold-first

scaffold-first is a graph machine learning model from EliasHossain. Use it for the graph machine learning task on the model card, and read the license before you ship it in a product. It is set up for pytorch. The card lists the license as other.

Final checkpoints for Scaffold-First Diffusion (SFD). Each checkpoint is self-contained (its Lightning hyperparameters.config holds the full architecture); a per-dataset stats/<family.stats.pt blob (~1 KB) supplies th…

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Updated Jul 11, 2026

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482 MB

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Public

Hugging Face

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.ckpt482 MB · 100%

At a glance

Task: Graph Machine Learning
Library: pytorch
License: other
Access: Public
Created: Jul 11, 2026
Updated: Jul 11, 2026
SHA: 13c3ebe8

Model card

From the Hugging Face model README

Scaffold-First Diffusion — checkpoint registry

Final checkpoints for Scaffold-First Diffusion (SFD). Each checkpoint is self-contained (its Lightning hyper_parameters.config holds the full architecture); a per-dataset stats/<family>.stats.pt blob (~1 KB) supplies the tokenizer scalars. Dataset families present: moses, planar, qm9, sbm.

Load and sample

from sfd.hub import from_pretrained
model = from_pretrained("qm9_riskopt_motif", repo_id="EliasHossain/scaffold-first-diffusion")   # or set SFD_HF_REPO
from sfd.sampling import ScheduleAwareConfidenceSampler
rows = ScheduleAwareConfidenceSampler(model, num_steps=128, temperature=0.9).sample(100, 32)

Or from the CLI:

export SFD_HF_REPO=EliasHossain/scaffold-first-diffusion
python -m sfd.cli.sample --model qm9_riskopt_motif --n 100 --out smiles.txt

Models

model	dataset	size
`moses_full_motif_riskopt`	moses	`37 MB`
`moses_full_uniform`	moses	`37 MB`
`moses_off`	moses	`37 MB`
`moses_sfd_motif`	moses	`37 MB`
`off_full_s42`	qm9	`37 MB`
`planar_uniform`	planar	`38 MB`
`qm9_invfreq`	qm9	`37 MB`
`qm9_random_role`	qm9	`37 MB`
`qm9_riskopt_motif`	qm9	`37 MB`
`qm9_riskopt_noexp`	qm9	`37 MB`
`sbm_uniform`	sbm	`41 MB`
`sfd_motif_full_s42`	qm9	`37 MB`

Uploaded by scripts/upload_to_hf.py.

Task: Graph Machine Learning
Library: pytorch
License: other
Created: Jul 11, 2026
Updated: Jul 11, 2026