Conformer models and training datasets

Axelrod, Simon;Gomez-Bombarelli, Rafael

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.

Citations (1)

https://doi.org/10.1038/s41597-022-01288-4
DataCite MDC OpenAlex
Cited on 21 April 2022
Weight: 1.23

Mentions (0)

No mentions found

It looks like this dataset has not been mentioned in any sources.

Metrics

Dataset Index

0.7

FAIR Score

15%

Citations

Mentions

Metrics Over Time

Publication Details

DOI

10.7910/dvn/n4vlql

Publisher

Harvard Dataverse

Assigned Domain

Subfield

Artificial Intelligence

Field

Computer Science

Domain

Physical Sciences

Confidence Score

61%

Source

Scholar Data Model

Keywords

ChemistryComputer and Information Sciencemachine learningcomputational drug discoverycomputational chemistry

Normalization Factors

15.38

CTw

1.00

MTw

1.00