Exploring chemical and conformational spaces by batch mode deep active learning
نویسندگان
چکیده
Batch active learning allows the efficient generation of powerful training sets in chemistry and materials science.
منابع مشابه
Discriminative Batch Mode Active Learning
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ژورنال
عنوان ژورنال: Digital discovery
سال: 2022
ISSN: ['2635-098X']
DOI: https://doi.org/10.1039/d2dd00034b