Published May 15, 2026
| Version v1
Dataset
Open
QuantumPioneer Dataset
Authors/Creators
-
Wu, Haoyang
(Project leader)1
-
Zheng, Jonathan W.1
-
Pang, Hao-Wei1
- Kao, Yu-Chi
-
Zalte, Akshat Shirish1
-
Abreu, Charlles R. A.
- Al Ibrahim, Emad
- Biswas, Sayandeep
- Byun, Chansup
- Burns, Jackson W.
- Cao, Chuangchuang
- Chung, Yunsie
- Dong, Xiaorui
- Doner, Anna
- Kepner, Jeremy
- Koo, Bonhyeok
- Li, Shih-Cheng
- Menon, Angiras
- Milechin, Lauren
- Morgan, Nathan
- Moreno Sader, Kariana
- Spiekermann, Kevin
- Vermeire, Florence
- Wang, Bryan
- Kraft, Markus
- Coley, Connor W.1
- Green, William H.1
-
1.
Massachusetts Institute of Technology
Description
Datasets associated with the work "QuantumPioneer: Scalable generation of quantum chemical data for solution-phase hydrogen transfer reactions"
GitHub: https://github.com/QuantumPioneer
Refer to the SCHEMA.md file for details of different datasets released here.
Files
quantumpioneer_thermo_dataset_open_shell_species.csv
Files
(12.1 GB)
| Name | Size | Download all |
|---|---|---|
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md5:a9f4df281b82ab8ee9980bad0b8012e2
|
39.1 MB | Preview Download |
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md5:e20581ec17f6613ddd33b1a996d5773b
|
759.5 MB | Preview Download |
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md5:ea0cbdc53c6dd2a0f48e2123d3c4f527
|
994.9 MB | Preview Download |
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md5:7c9a78ef88fe1bd60c539d8759ca2a20
|
1.6 GB | Preview Download |
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md5:95d19eae7843e14e557f15a44ec8ce2b
|
1.1 GB | Preview Download |
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md5:cc2e8d46fa2ae2ff3623a29b9b5de676
|
31.8 MB | Preview Download |
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md5:52ad6cfb7494e6c2edfec15738f110e8
|
41.5 MB | Preview Download |
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md5:3f95efee1fa1eeb29136008df1f0b4f6
|
14.1 MB | Preview Download |
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md5:d0e7f364ac456c5fadf062636d6bbbcb
|
12.3 kB | Preview Download |
|
md5:7be7c32db96bc1ec61e5e7f7a51cf7fb
|
2.3 GB | Download |
|
md5:9d107c77158f05358cd0dbdb7ece1556
|
193.3 MB | Download |
|
md5:6752889928326dca34a2c13cab8184f4
|
2.1 GB | Download |
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md5:1c69b958d4c6bef228db85a472824b20
|
1.4 GB | Download |
|
md5:c2b022f65b95724804f9ca012faccc36
|
116.6 MB | Download |
|
md5:c5cae5c2cb080e54f340e7b08d0f4f7f
|
1.4 GB | Download |