Published December 22, 2023
| Version v1
Dataset
Open
Autonomous, multiproperty-driven molecular discovery: from predictions to measurements and back
Authors/Creators
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Koscher, Brent
(Project member)1
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Canty, Richard
(Project member)1
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McDonald, Matthew
(Project member)1
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Greenman, Kevin
(Project member)1
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McGill, Charles
(Project member)1
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Bilodeau, Camille
(Project member)1
- Jin, Wengong (Project member)1
- Wu, Haoyang (Project member)1
- Vermeire, Florence (Project member)1
- Jin, Brooke (Project member)1
- Hart, Travis1
- Kulesza, Timothy (Project member)1
- Li, Shih-Chen1
- Jaakkola, Tommi (Project leader)1
- Barzilay, Regina (Project leader)1
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Gomez-Bombarelli, Rafael
(Project leader)1
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Green, William
(Project leader)1
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Jensen, Klavs
(Project leader)1
-
1.
Massachusetts Institute of Technology
Description
This repository contains all the data and models associated with the paper "Autonomous, multi-property-driven molecular discovery: from predictions to measurements and back" by Koscher et al. More information to follow
Files
absorption_maximum.zip
Files
(13.8 GB)
| Name | Size | Download all |
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md5:70d36d8ae6811ecef68d5b13c8e7e84c
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3.6 GB | Preview Download |
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md5:22fa5a6f826044eabc000736a000c078
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69.2 MB | Preview Download |
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md5:6043436c80c197e9d1b1daabd1c51906
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766.3 kB | Preview Download |
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md5:680a1b45a8c979d40fc4c66be8dedb5c
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1.9 GB | Preview Download |
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md5:63c18636eca5964b3f47879db7325bbc
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7.1 MB | Preview Download |
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md5:87a7da79328eca9a18e9f7c427e6e40d
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331.3 MB | Preview Download |
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md5:1a21c7f59a9ea083ef3c9ce2712ac81b
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7.9 GB | Preview Download |
Additional details
Funding
- Defense Advanced Research Projects Agency
- Accelerated Molecular Discovery HR00111920025