# THEMol: Torsion, Hessian, Energy of Molecules

许可证声明：受限（CC-BY-NC-4.0）；本站处理：只链接原出处。限制从宽认定。

- 能否商用：否 · 能否改编：不明 · 能否再分发：不明 · Mdexa 提供文件：否
- 许可证状态：有限制 (CC-BY-NC-4.0)
- Mdexa 处理：只链接 — 许可证受限：限制从宽认定。只链接原出处。
- 最近核实：2026-11-14
- 信息卡：https://mdexa.com/zh/datasets/themol/

## 关键事实

- 领域：药学与药物
- 内容类型：结构化数据库, 其他
- 规模：— — 1B<n<10B
- 语言：英文
- 模态：文本, 表格
- 发布方：ByteDance-Seed
- 年份：2026

## THEMol: Torsion, Hessian, Energy of Molecules 是否允许商业使用

- 商业使用：否。
- 许可状态：有限制。
- 条件：署名
结论仅记录来源所述，不构成法律意见。

## THEMol: Torsion, Hessian, Energy of Molecules 许可证证据

限制从宽认定

- **Hugging Face 卡片元数据** — CC-BY-NC-4.0：在快照 s01（readme）中找到的声明 — "license: cc-by-nc-4.0" — https://huggingface.co/datasets/ByteDance-Seed/THEMol (2026-11-12; 亲自打开)
- **README** — CC-BY-NC-4.0：在快照 s01（readme）中找到的声明 — "Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)" — https://huggingface.co/datasets/ByteDance-Seed/THEMol (2026-11-12; 亲自打开)

## 来源与血缘

—

## THEMol: Torsion, Hessian, Energy of Molecules 已知问题

—

## 预检

未预检（数据未入库）。

## THEMol: Torsion, Hessian, Energy of Molecules 下载、接口与获取方式

Mdexa 站内不提供文件。原始出处：
- https://huggingface.co/datasets/ByteDance-Seed/THEMol

### 取用配方

- .gitattributes · 3 KB · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/.gitattributes
- Hessian/hessian_0.h5 · 4.8 GB · sha256 00d30107bf3565781eec5c977f833f0293092760a40ed7a7c8df5e3b1e5e3a6d · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_0.h5
- Hessian/hessian_1.h5 · 4.7 GB · sha256 00f82b813c5ed47cbadbd6e23713b2a9f4632ed1ff6e1ccfd0b44d032ae00a6b · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_1.h5
- Hessian/hessian_10.h5 · 4.8 GB · sha256 e1844e8685b075d2e58a2e3e531a20d12a56f41b80c4c628dcd09124c52bfe88 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_10.h5
- Hessian/hessian_11.h5 · 4.8 GB · sha256 3c3a4cb8f746de873f1e5321a390c245483e8866e30f278d73c66cd5a84df8fd · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_11.h5
- Hessian/hessian_12.h5 · 4.8 GB · sha256 558b5a761e0febeaa43d47159e27bfb188505d9b5c5eafb0b41b5e493ee8cc50 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_12.h5
- Hessian/hessian_13.h5 · 4.8 GB · sha256 53a93416150df7f2136d1582b82896c5c25ad53f8f2d3fc61e1d64a249bfd516 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_13.h5
- Hessian/hessian_14.h5 · 4.8 GB · sha256 73a4652f2f9bd25c730bd443fec8e8613622f2c3836e8ebf28dbc217882155ce · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_14.h5
- Hessian/hessian_15.h5 · 4.8 GB · sha256 f5fce994b18b6cce416fb3e672cee018b8969a0cfc4508a73f8c4e9209be92d7 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_15.h5
- Hessian/hessian_16.h5 · 4.8 GB · sha256 1d70bd30bdb230b2647f61c7da54f672cb809ff0d5b107ae2702005328c37313 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_16.h5
- Hessian/hessian_17.h5 · 4.8 GB · sha256 f6f95676cb2bc6d2e371f64ca8ccf70ae9e750aa751c99a45598b93200d6b216 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_17.h5
- Hessian/hessian_18.h5 · 4.8 GB · sha256 bc417a6d772f72eba8839d4fce0d62bd21f120f36f73e2349a1ebb124f838121 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_18.h5
- Hessian/hessian_19.h5 · 4.8 GB · sha256 1eb1533bb8a2f6e3a1ba18b1af29f05faa765e19286364d99c4bc8e5dfb54598 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_19.h5
- Hessian/hessian_2.h5 · 4.8 GB · sha256 e5f82f6e4f646771f409008a136d61ed0957a7620746b5f075634698763b382b · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_2.h5
- Hessian/hessian_20.h5 · 4.8 GB · sha256 07f40dc5d03dd84d5c4d9532c5140a9fa86071274a7278aa3ad66c26120d05a2 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_20.h5
- Hessian/hessian_21.h5 · 4.8 GB · sha256 82e2d0b2ea66d98bf7e1844b92fa5bcf21a48ad6e7be870e738813461cb83a0f · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_21.h5
- Hessian/hessian_22.h5 · 4.8 GB · sha256 1114c68b60733cd5a40b09b39f7ca29e44432dd94870976b1c8e2c139323cf88 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_22.h5
- Hessian/hessian_23.h5 · 4.8 GB · sha256 0f6c0481c85c6de8a181dbcde48582aaecfad935c46cfad9a98d33ae1cc9cfb1 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_23.h5
- Hessian/hessian_24.h5 · 4.8 GB · sha256 11d4b06e3405b2ae42d65087c44f340a5d2729a6e3bf30a03d074925a5a95ee9 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_24.h5
- Hessian/hessian_25.h5 · 4.8 GB · sha256 7ee458660d55691c404062a5667909d516014990325efe2c613bf4b5c8cd38be · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_25.h5
- Hessian/hessian_26.h5 · 4.8 GB · sha256 ef9a2c33311b6a6412ed800491a4a23452b779bbe30251ee35b2b9ff12c0aad0 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_26.h5
- Hessian/hessian_27.h5 · 4.8 GB · sha256 5f5702488777abfe9fcd229129d2b74aa6811fb71b3a6a2a67f2ac2dc6ee8020 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_27.h5
- Hessian/hessian_28.h5 · 4.8 GB · sha256 49c5a8dc15478c1805b3dc1692644e0f23b344a5341313b9003d2e3f2e1e3466 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_28.h5
- Hessian/hessian_29.h5 · 4.8 GB · sha256 c0eb825e8295a313b82805f59a013919cc2a9779a4e2ad4ad908c0bc37d5ab81 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_29.h5
- Hessian/hessian_3.h5 · 4.8 GB · sha256 d54cfc9561bfaf07082529bd6ad5822bed9943bca09f5c698ead9b7dbec70789 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_3.h5
- Hessian/hessian_30.h5 · 4.8 GB · sha256 220158b8ef3e4f527502c6c214cc3e17763b47387db1cab75cc35a31b1390141 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_30.h5
- Hessian/hessian_31.h5 · 4.8 GB · sha256 4f8cb58e95825c8a898b197bf6331a824d93eab0bc86d9a347dacacce12ce028 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_31.h5
- Hessian/hessian_32.h5 · 4.8 GB · sha256 199a1d0a5a354c22c003270ab30168322b583a9295ca459df25c8c17e0df655a · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_32.h5
- Hessian/hessian_33.h5 · 4.8 GB · sha256 698395e9349ad635b9274c2b84945d198b7fc441f7febd654f24574a39e14d23 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_33.h5
- Hessian/hessian_34.h5 · 4.8 GB · sha256 cf03749a26bcac3239ad76a272568e7db1abe27a953cdeed1e157b0afe7b5d1d · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_34.h5
- Hessian/hessian_35.h5 · 4.8 GB · sha256 fe66e5bd9ccd1b0f64c77f6ae4e784711f9fd6b67b3eb9f841447fd7c24a6764 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_35.h5
- Hessian/hessian_36.h5 · 4.8 GB · sha256 28582b5e6d78d2a0a7b66a0ca7daf82d7ac9a66af3f075140b07b32c99e85448 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_36.h5
- Hessian/hessian_37.h5 · 4.8 GB · sha256 789a3b32f75113fcd227092047cd26af1ff7bf8256595b9eaeb9a7e3eac1bc7e · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_37.h5
- Hessian/hessian_38.h5 · 4.8 GB · sha256 5914ad5eb13abf4f6216f5424d6376503db02a7cbc1e72cddf0f1da4ef3819d1 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_38.h5
- Hessian/hessian_39.h5 · 4.8 GB · sha256 2cd0b840977dbc31ed2540e64d6c411b7a54e95f0cc43b1c7133071eb3cd8e8b · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_39.h5
- Hessian/hessian_4.h5 · 4.8 GB · sha256 04d8866092d8f5799d386d080a5fe311f363398f4c6124a0f8c54c2c07cbea29 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_4.h5
- Hessian/hessian_40.h5 · 4.8 GB · sha256 43c0960aa1fcf46bb8efbe6a75e4190d029df46f46cfb92b2604fe771a281116 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_40.h5
- Hessian/hessian_41.h5 · 4.8 GB · sha256 7e418c94ee6bafaa5d4d7def79e9cdab686a37408240b228aec7e4f62e2543d8 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_41.h5
- Hessian/hessian_42.h5 · 4.8 GB · sha256 d84ec34c20f71cb94db19eb17302a095f7febd754e97c831656596bb98d6c001 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_42.h5
- Hessian/hessian_43.h5 · 4.8 GB · sha256 ff9b3f793dce505efd6a0f46691477370845797dbc2b3946ed3d6ce19861efd6 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_43.h5
- Hessian/hessian_44.h5 · 4.8 GB · sha256 fbafdbd08008561f0db052dd9824f4b53a8db8e9b157356d83284824033f263b · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_44.h5
- Hessian/hessian_45.h5 · 4.8 GB · sha256 69e7711d0308812b674f0239718b53e984c02f25b26e08c701ee1214fbfef8fa · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_45.h5
- Hessian/hessian_46.h5 · 4.8 GB · sha256 006c4d9eeebed8ce3cefd8cee5c5fe54476077352a7ca652deb04bc3ac09a9c7 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_46.h5
- Hessian/hessian_47.h5 · 4.8 GB · sha256 7bf538aa726d58f214cd03f39bbbf13412053ac6ee2505ab8e450c4c88798c62 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_47.h5
- Hessian/hessian_48.h5 · 4.8 GB · sha256 620b3dad2a8a754c27885b357ed93ea148270c6b14f2fc1fe95e27c6ead74c60 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_48.h5
- Hessian/hessian_49.h5 · 4.8 GB · sha256 c10586f76cac67e9782213c5c54cedb52399da999fd8f960e673321a3e91d526 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_49.h5
- Hessian/hessian_5.h5 · 4.8 GB · sha256 8af3a37538433ee9659277392097f694d98f74e0d675ea0179f345af79916284 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_5.h5
- Hessian/hessian_6.h5 · 4.8 GB · sha256 be0f04c5b91777715dbd3ad6f63b8d3f831074afe0746ac491dcb68137741844 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_6.h5
- Hessian/hessian_7.h5 · 4.8 GB · sha256 349992c50eeb4a4d2f91952139abd9b42f252e1abc58c0b7e8373288f8040b01 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_7.h5
- Hessian/hessian_8.h5 · 4.8 GB · sha256 c5c47c4b6f586d9fedbba0dae7099f854ec9b7073052a33be34bc7dd37edfc34 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_8.h5
- Hessian/hessian_9.h5 · 4.8 GB · sha256 b550a838487f1a0d24da576a47dd4a867b0dec9fc749d8b52fd0c80b6f3c5c44 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_9.h5
- Hessian/hessian_dataset.csv · 1.5 GB · sha256 fab509412abe195a7f098c84e7e5eef8fbc4ea8f0b37ce3da720dd45f211c9a4 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/Hessian/hessian_dataset.csv
- HessianRelax/relax_0.h5 · 21.9 GB · sha256 d0e0ba9cb83c7ac9f4fdb8c416bde696ae4139bf4e52ab1616be13ee51ddc6f9 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_0.h5
- HessianRelax/relax_1.h5 · 19.9 GB · sha256 b02218ff02523e528af49771e4a36e8f67c7b9a564db1df8576d4e4959642ad6 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_1.h5
- HessianRelax/relax_10.h5 · 19.5 GB · sha256 e7a3345de055dc82c2dbc36aa4e9e6af0479214bbc44acfb0772a64eb8297a79 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_10.h5
- HessianRelax/relax_11.h5 · 21.0 GB · sha256 3722d344879fa8254fdaf34d983a0827234b3a32f8518996d42df492f5787f55 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_11.h5
- HessianRelax/relax_12.h5 · 20.5 GB · sha256 e4366bc52a445eb05cc534dcb577f99489c400c33d0c318d6a2ca46114b18a8e · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_12.h5
- HessianRelax/relax_13.h5 · 21.6 GB · sha256 a336ab926553d14fe46ceb43714157456a30d961e0207bfa77e15b839dd1d4ce · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_13.h5
- HessianRelax/relax_14.h5 · 21.3 GB · sha256 4d67db8d807e0bdcbbd6ffe6917069c5c72a49f35601c3c4462d104f6376a5c9 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_14.h5
- HessianRelax/relax_15.h5 · 19.3 GB · sha256 01042747b061d79c29d34aadcb9e12ea66d90b7904c460d4afae9b44cb1f704e · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_15.h5
- HessianRelax/relax_16.h5 · 19.4 GB · sha256 0a01d8812f4745a887e9f6186684facd8a8221a27fce11c9367354cd4069f8ae · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_16.h5
- HessianRelax/relax_17.h5 · 18.2 GB · sha256 2f82c9e9fdef18884a9dca4745d80dbf41bf1b6e033acb2b0fb2004662dafe35 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_17.h5
- HessianRelax/relax_18.h5 · 19.0 GB · sha256 52193d326b29084df22bdf5ddf56620a981d3f6cac3ab0c98214f1273e414b9c · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_18.h5
- HessianRelax/relax_19.h5 · 19.0 GB · sha256 846bf6ce12d7c2b3306e871487eeddc5ad270f8cd2c90624b6ee542cec902e66 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_19.h5
- HessianRelax/relax_2.h5 · 21.6 GB · sha256 b808e6ca6f27b34cac36517e37e66add92627c1b90825664973fff74d305abc6 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_2.h5
- HessianRelax/relax_20.h5 · 19.5 GB · sha256 c2f2205cec9a53e5bed1e34041d23f398a93dde931a81815f33f6840a8b319e6 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_20.h5
- HessianRelax/relax_21.h5 · 20.7 GB · sha256 9f2a9536541f379415683147ce09bdcb24e8309f97568e83955ff2a4a87fd805 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_21.h5
- HessianRelax/relax_22.h5 · 20.4 GB · sha256 8d3da1368bfe242ffb953eb3f2a0b9bbdab1a4c6a5bcf93f102c90162a290c84 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_22.h5
- HessianRelax/relax_23.h5 · 20.6 GB · sha256 f3b2fabd7bd7a13bcebbbefc24c3421534fa8a76f39f67161ae1d09438f3723f · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_23.h5
- HessianRelax/relax_24.h5 · 21.5 GB · sha256 46f08c1fa8ea0498f4de47c8424908b0ecfc7d6b15bc19f44eda1df0a90fa6ae · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_24.h5
- HessianRelax/relax_25.h5 · 20.0 GB · sha256 b10a28c1df81d1a828b62f6d36bf500584bfa2ec2aa9253980efae9c29ae604f · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_25.h5
- HessianRelax/relax_26.h5 · 19.2 GB · sha256 d5f7d740188cfe966f62a759584ab26969e07c34d3b5660ed3f6157360311179 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_26.h5
- HessianRelax/relax_27.h5 · 20.3 GB · sha256 34b71cb3668d5e6e16e08db8c7f54619eca78090918d74da5013bf1097913fe7 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_27.h5
- HessianRelax/relax_28.h5 · 20.3 GB · sha256 22abb644173d448f09726000e71984fb83ab489d3beed1b6d770fd0440cf6fa8 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_28.h5
- HessianRelax/relax_29.h5 · 20.2 GB · sha256 6bfb9379c95b13c395acd790cacaa3d491c51f6512388c7b40875e8e52df8076 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_29.h5
- HessianRelax/relax_3.h5 · 19.4 GB · sha256 ee6594a6b57f67683e169df4add235df5b22f6b6e95609283617ef64a796a382 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_3.h5
- HessianRelax/relax_30.h5 · 21.1 GB · sha256 dd79c9ec2b96afe4c2c216e18086d5792db6caaf2f9b0b715fd915f2d459a3ab · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_30.h5
- HessianRelax/relax_31.h5 · 21.0 GB · sha256 9ee766130e047fdec4fe30c81481d4a352949369acb13f499a5591a5ebc59e07 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_31.h5
- HessianRelax/relax_32.h5 · 21.6 GB · sha256 52cf82e803c85322f63cc91183c5410a04f12d662b5b8a66a33bc73cdc77f831 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_32.h5
- HessianRelax/relax_33.h5 · 20.9 GB · sha256 2a13dbbf7e804a0e2fd681ad7c4f590c688e110f95fd455111192a5843b62ea0 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_33.h5
- HessianRelax/relax_34.h5 · 19.4 GB · sha256 0ba24dad57f5d53cf41c673dcc0c82403ae392cab5d7d10dc901421a3010ce20 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_34.h5
- HessianRelax/relax_35.h5 · 21.5 GB · sha256 5cd633b82c75c0e417591a1b2ec1049a9ac8629dd2b2c2269047e0cee12502b7 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_35.h5
- HessianRelax/relax_36.h5 · 19.3 GB · sha256 33ad0fe6f950d1dc63c8e2f9849262211bcd446cc3d93b1f5fda4af811f8e40c · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_36.h5
- HessianRelax/relax_37.h5 · 19.1 GB · sha256 be2a8e2e38ccf275e5725f36e15706f389bd2a8f304f5727be27bd57f288d49b · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_37.h5
- HessianRelax/relax_38.h5 · 20.3 GB · sha256 666c513152cccb4308be48eed53598cafbc10eb06bcceff576247da3ffb543ba · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_38.h5
- HessianRelax/relax_39.h5 · 19.6 GB · sha256 b65fa959f7731325d9b64f9712dba00a37f3b2b1d1f0103cc6c0640d09afd419 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_39.h5
- HessianRelax/relax_4.h5 · 21.3 GB · sha256 5b9a2261ab27a3213d8dbebfc6bf28efb46baa3ab5ef1213c2326f64b6b0112a · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_4.h5
- HessianRelax/relax_40.h5 · 19.4 GB · sha256 39da0c7555cc95f9c9ec7af1c5616122ad3bc562bc3cf1f4de2d6096a62a8855 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_40.h5
- HessianRelax/relax_41.h5 · 19.5 GB · sha256 c6694374d7687f93eb21a896a5c2d5478ecdb6dbc757ddbe6a7ad18839d7049b · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_41.h5
- HessianRelax/relax_42.h5 · 20.6 GB · sha256 35e28742109d25d9aabd5949feda797b7ad3ccc834139eec61f01d0d91570d0e · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_42.h5
- HessianRelax/relax_43.h5 · 20.2 GB · sha256 c51677aa5f10c271379826550227bbfdc108a759c70437155c3c448d59d70fce · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_43.h5
- HessianRelax/relax_44.h5 · 19.3 GB · sha256 d0e7f2bb8868463a8c8acd39f0eca84eb2149125f8d093c02ce55f7559401596 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_44.h5
- HessianRelax/relax_45.h5 · 19.9 GB · sha256 3bba68f24c2bfdbdfdb034c05e06266f0855bdb8c3c21657bd005ebc0d65aeff · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_45.h5
- HessianRelax/relax_46.h5 · 19.9 GB · sha256 25556605a69a861e7bf192c52289be3f069c3eae2aecd0c4fffdd347ef3cd2c1 · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_46.h5
- HessianRelax/relax_47.h5 · 18.9 GB · sha256 73a766b95c617a9f853cd963ff0a66b143469fa7f748e6944f91440c6962682a · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_47.h5
- HessianRelax/relax_48.h5 · 20.4 GB · sha256 2ccafd7a1b1ce086c8fd689a6c34802764ca90504a0becb1dd19837ff99ae79e · https://huggingface.co/datasets/ByteDance-Seed/THEMol/resolve/e029fa677b2638b29efa5930a1173d4e41abcab8/HessianRelax/relax_48.h5

## THEMol: Torsion, Hessian, Energy of Molecules 引用格式

原始资料没有给出推荐引用文本。
- arXiv:2605.14973

## 机器可读

- JSON: https://mdexa.com/datasets/themol.json
- 2026-11-14 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-14 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 按当前规则重新判定；机器检查仍全部通过。
- 2026-11-13 经自动流水线收录并通过全部校验（门禁、逐字引用、判定引擎、两轮独立抽取）。

## 在本库继续查找

本条目是 109 条已处理并核实的记录之一（数据集、数据资源与开源模型）。查找其他条目：调用 `https://mcp.mdexa.com/v1/datasets?q=<关键词>`，或连接 MCP 服务 `https://mcp.mdexa.com/mcp`；每分钟 20 次以内无需密钥。每行返回不到 1 KB；空结果即"数据库未收录"。核对一份清单：一次批量核对（免费账号）即返回报告。说明：/agents.md。相似条目：TopU-LBVS: Multi-Target Benchmark for Ligand-Based Virtual Screening (https://mdexa.com/zh/datasets/topu-lbvs/)；jablonkagroup/chempile-lift (https://mdexa.com/zh/datasets/chempile-lift/)；Therapeutics Data Commons (https://mdexa.com/zh/datasets/tdc/)。