Virtual screen of 10,000 proteins and 500 million compounds takes just a day, delivers 2 million small-molecule hits ...
A research team affiliated with UNIST has reported a new simulation tool to better understand how liquid-phase chemical ...
PEGASUS generates permeable macrocyclic peptides, offering new promise for a modality that can combine the properties of a biologic in a pill ...
Molecular modeling soon attracted the attention of Medicinal Chemistry researchers, given the importance of molecular structure for understanding the mode of action and for designing bioactive ...
Jointly training seemingly unrelated tasks, such as Molcap and the Quantum Mechanics Property Prediction Task, can also lead to performance improvements for both. DATA_BASE_DIR str Base directory of ...
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