Pith Number

pith:DCX5QCOH

pith:2026:DCX5QCOHTTEAYI7VZRBHO2BNBU

not attested not anchored not stored refs resolved

Chem-GMNet: A Sphere-Native Geometric Transformer for Molecular Property Prediction

Deepak Warrier, Raja Sekhar Pappala

Chem-GMNet, a sphere-native geometric transformer, outperforms same-sized ChemBERTa-2 on 7 of 10 MoleculeNet endpoints with about 35 percent fewer parameters.

arxiv:2605.13262 v1 · 2026-05-13 · cs.LG · q-bio.QM

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Record completeness

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2 Internet Archive

3 Author claim open · sign in to claim

4 Citations open

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The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

On canonical DeepChem scaffold splits, random-initialised Chem-GMNet wins on 7 of 10 MoleculeNet endpoints at ~35% fewer parameters than same-shape ChemBERTa-2 baselines; pretrained on the same 10M-SMILES ZINC corpus it matches or beats the public release on 6 of 8 shared endpoints.

C2weakest assumption

That the reported performance gains arise from the sphere-native inductive biases rather than from differences in training protocol, hyperparameter tuning, or data handling that are not fully detailed in the abstract.

C3one line summary

Chem-GMNet uses sphere-native embeddings, DualSKA attention, and SH-FFN layers to match or beat ChemBERTa-2 on MoleculeNet tasks with fewer parameters and sometimes no pretraining.

References

37 extracted · 37 resolved · 5 Pith anchors

[1] Kendall Atkinson and Weimin Han.Spherical Harmonics and Approximations on the Unit Sphere: An Introduc- tion, volume 2044 ofLecture Notes in Mathematics 2024

[2] A Practical Guide to TPM 2.0 · doi:10.1007/97

[3] E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials · doi:10.1038/s41467-022-29939-5

[4] Boris Bonev, Thorsten Kurth, Tom Kölbl, et al · doi:10.1038/s41570

[5] Seyone Chithrananda, Gabriel Grand, and Bharath Ram- sundar 2010

Formal links

2 machine-checked theorem links

Receipt and verification

First computed	2026-05-18T02:44:49.343254Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

18afd809c79cc80c23f5cc4277682d0d39c9d76a48d75ba38a9c6554748be314

Aliases

arxiv: 2605.13262 · arxiv_version: 2605.13262v1 · doi: 10.48550/arxiv.2605.13262 · pith_short_12: DCX5QCOHTTEA · pith_short_16: DCX5QCOHTTEAYI7V · pith_short_8: DCX5QCOH

Agent API

Resolver JSON Graph JSON Events JSON Schema Signing key

Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/DCX5QCOHTTEAYI7VZRBHO2BNBU \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 18afd809c79cc80c23f5cc4277682d0d39c9d76a48d75ba38a9c6554748be314

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "c8f0d517bcefeb0f640076c6e5cf5366d59abdc200a7b8eb6aceb0b9ab1b7738",
    "cross_cats_sorted": [
      "q-bio.QM"
    ],
    "license": "http://creativecommons.org/licenses/by/4.0/",
    "primary_cat": "cs.LG",
    "submitted_at": "2026-05-13T09:43:55Z",
    "title_canon_sha256": "ecfb724f3a9ac93429b8c6f95ac15d1f2ec97b7fa196a4088b0ffc5e475efa97"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2605.13262",
    "kind": "arxiv",
    "version": 1
  }
}