Published August 5, 2024
| Version 1.0
Dataset
Open
Datasets for MulitModalTransformer project
Description
This folder contains all the necessary data related to the publication:
"Enhancing Molecular Structure Elucidation with the MultiModalTransformer: Integrating Spectroscopic Modalities and Iterative Improvement Cycles "
which includes the simulated data of:
- the Github accompanying libraries for running the code (SGNN, Mol2Mol and ChemProp-IR)
- Pre-trained models
- ZINC 4M
- PubChem 1.5M dataset
- ACD / our simulated data of the experimental molecules
- the peak-picked data of the experimental molecules
- Experimental results
Files
0.0_Experiments.zip
Files
(34.9 GB)
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md5:51cd93c699a5a19d74bce4bb7ab7dbaa
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1.7 GB | Preview Download |
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md5:e998c367c469f2e3ab6c240e34fdf243
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375.9 MB | Preview Download |
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md5:15a78d064f9b9486eb8f2d958b0c8d6f
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2.8 GB | Preview Download |
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md5:c2211ea5e3a1b11c6223ab42c8414d7f
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122.8 MB | Preview Download |
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md5:f09342c1244243bb675cf76b904b579d
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3.6 MB | Preview Download |
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md5:a1de9a04e52ed8ff658330fd6eb84164
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2.3 MB | Preview Download |
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md5:83307e0c071b9e4b21f2373516e48140
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22.2 MB | Preview Download |
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md5:29663515b12c52af7179ac79559d5028
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665.6 kB | Preview Download |
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md5:66ea6bafd412a65111721fe6c44c53b5
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md5:50b2e204ac4c82e737a93ba906772828
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254.8 MB | Preview Download |
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md5:ad97e120b2a8edf3aba1ddc137f35a48
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1.1 MB | Preview Download |
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md5:0a7aed79dad3b9bd21b3b557b52af99c
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624.0 kB | Preview Download |
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md5:6e0943a7909eef70b407f4d0f3188bcf
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2.7 GB | Preview Download |
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md5:dc6231f5f7fa9c4622e3acfc4b1da329
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1.0 GB | Download |
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md5:13d4635e93a95c95f70835f5799f7b72
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1.0 GB | Download |
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md5:957f35f94adc845d8d5e9b3095c72000
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1.0 GB | Download |
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md5:e92f82ec53181b69e64972c83105b3f2
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1.0 GB | Download |
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md5:feada7a3d754d0f4799752f742e90b54
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1.0 GB | Download |
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md5:897a8fd851e6c80d781cada1fa5fc196
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1.0 GB | Download |
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md5:e104ca4dfe669409d13b179c4ddc8772
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1.0 GB | Download |
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md5:6b99efa9d574c7545351eb4b7e10efc6
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852.2 MB | Preview Download |
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md5:1dc44fa42caafb9ac6b067030a12ac97
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1.0 GB | Download |
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md5:9dc9c3b4976a5cef4f4a0aed6594ea95
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1.0 GB | Download |
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md5:dc875779423d1ca34752581b53c38ebb
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1.0 GB | Download |
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md5:e37fa481465387d98d7e81052e0e79e9
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1.0 GB | Download |
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md5:92a5e9af4b299ab812bba8702e46edda
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1.0 GB | Preview Download |
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md5:e375d2393ca1dedd3d6c0e7366f159fa
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1.0 GB | Download |
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md5:b25a9ca15e79f13494d1976affebb552
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1.0 GB | Download |
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md5:9940f254dfd892f965a2a2c64f0282c0
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1.0 GB | Download |
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md5:2cdd96ccfe35164831328667bb23a4c9
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1.0 GB | Download |
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md5:82010b6c7c07a3d272b8a9d79a5c78ec
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1.0 GB | Download |
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md5:2caf4620c525bd51cf6dbe9132110f55
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1.0 GB | Download |
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md5:48fb5e69685728d7ab87c7bed58f4258
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1.0 GB | Download |
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md5:557a56040acc773de3e436b46ffb03cc
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1.0 GB | Download |
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md5:30ccbe7eb24d2d734b84638af89db15b
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1.0 GB | Download |
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md5:69ebcb8f0f9d71f604182910693a624e
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1.0 GB | Download |
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md5:28736feaad2597f63bb5efd5ed5eccc4
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1.0 GB | Download |
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md5:f3d2d1886f06470d9c04f8aab9a17127
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1.0 GB | Download |
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md5:dca4570c0b858c2d7256299c05290346
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1.0 GB | Download |
Additional details
Dates
- Available
-
2024-08-26
Software
- Repository URL
- https://github.com/knlr326_azu/MultiModalTransformer