Published February 28, 2024
| Version v1
Dataset
Open
DFT data for "Biomolecular Dynamics with Machine Learned Quantum-Mechanical Force Fields Trained on Diverse Chemical Fragments"
Description
DFT data used for training the model in "Biomolecular Dynamics with Machine Learned Quantum-Mechanical Force Fields Trained on Diverse Chemical Fragments".
Files
README.txt
Files
(2.0 GB)
| Name | Size | Download all |
|---|---|---|
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md5:28794b8f4ec35f3f13f48fd131c737e4
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11.9 MB | Download |
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md5:226ad0ff4d2bd760cbfb015a5672601e
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47.0 MB | Download |
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md5:745c3352c7408f1e36dad75c962be354
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1.9 GB | Download |
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md5:c241dbaf508758b9a96293688c615ce7
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7.1 MB | Download |
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md5:69b4989d2d74c32a1e04e258715968fc
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10.3 MB | Download |
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md5:ebebfb45a68554ef217c54220c3a796d
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1.9 kB | Download |
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md5:f2f3d9174a02f296a3198858aa0f59c6
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139 Bytes | Preview Download |
Additional details
Related works
- Is described by
- Preprint: 10.48550/arXiv.2205.08306 (DOI)