Pubblicazioni

Modelling local and general quantum mechanical properties with attention-based pooling

2023 - COMMUNICATIONS CHEMISTRY
Buterez, D.; Janet, J. P.; Kiddle, S. J.; Oglic, D.; Lio, P.

MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning

2023 - JOURNAL OF CHEMICAL INFORMATION AND MODELING
Buterez, D.; Janet, J. P.; Kiddle, S. J.; Lio, P.

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