Pith Number

pith:6I7ZAYPA

pith:2026:6I7ZAYPAQKA3YLBMWLBYBFQ6CU

not attested not anchored not stored refs pending

MolClaw: An Autonomous Agent with Hierarchical Skills for Drug Molecule Evaluation, Screening, and Optimization

Bowen Zhou, Haoran Sun, Haoyang Su, Lei Bai, Lilong Wang, Lisheng Zhang, Qikui Yang, Qingsong Li, Wei Tang, Wenjie Lou, Xiangyu Sun, Xiaosong Wang, Yankai Jiang, Yingnan Han, Yuehui Qian, Zhengwei Xie, Zhenyu Tang

A three-tier hierarchical skill architecture lets an AI agent reliably handle complex multi-step drug molecule workflows.

arxiv:2604.21937 v2 · 2026-04-02 · cs.AI · cs.MA

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\pithnumber{6I7ZAYPAQKA3YLBMWLBYBFQ6CU}

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Record completeness

1 Bitcoin timestamp

2 Internet Archive

3 Author claim open · sign in to claim

4 Citations open

5 Replications open

✓ Portable graph bundle live · download bundle · merged state

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

MolClaw achieves state-of-the-art performance across all metrics on MolBench, and ablation studies confirm that gains concentrate on tasks that demand structured workflows while vanishing on those solvable with ad hoc scripting.

C2weakest assumption

That the three-tier hierarchical skill architecture is the primary driver of improved performance rather than other factors such as prompt engineering, tool selection, or benchmark-specific tuning.

C3one line summary

MolClaw deploys a hierarchical skill system (tool, workflow, and discipline levels) to achieve state-of-the-art results on MolBench tasks requiring 8 to 50+ sequential tool calls in drug discovery.

Receipt and verification

First computed	2026-05-20T00:03:12.454658Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

f23f9061e08281bc2c2cb2c380961e150a5bfe9d1298e04139705c1685f2cdaa

Aliases

arxiv: 2604.21937 · arxiv_version: 2604.21937v2 · doi: 10.48550/arxiv.2604.21937 · pith_short_12: 6I7ZAYPAQKA3 · pith_short_16: 6I7ZAYPAQKA3YLBM · pith_short_8: 6I7ZAYPA

Agent API

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Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/6I7ZAYPAQKA3YLBMWLBYBFQ6CU \
  | 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: f23f9061e08281bc2c2cb2c380961e150a5bfe9d1298e04139705c1685f2cdaa

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "0dc1b25866e584ca5ad806aa1ddc1d4e948722d1f7addbe98bb19d0f0b12fd31",
    "cross_cats_sorted": [
      "cs.MA"
    ],
    "license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
    "primary_cat": "cs.AI",
    "submitted_at": "2026-04-02T09:27:36Z",
    "title_canon_sha256": "ec92c08de39d422d46369c49c81ec2f122305757c9984cf247e261f15337a408"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.21937",
    "kind": "arxiv",
    "version": 2
  }
}