ICAR Research Data Repository for Knowledge Management
Conformer models and training datasets
Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)
View Archive Info| Field | Value | |
| Title |
Conformer models and training datasets
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| Identifier |
https://doi.org/10.7910/DVN/N4VLQL
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| Creator |
Axelrod, Simon
Gomez-Bombarelli, Rafael |
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| Publisher |
Harvard Dataverse
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| Description |
Here you can find pre-trained machine learning models that generate predictions from conformer ensembles. You can also find the PyTorch datasets that were used to train them.
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| Subject |
Chemistry
Computer and Information Science machine learning computational drug discovery computational chemistry |
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| Contributor |
Axelrod, Simon
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