3 ms·
Yo! I am trying to infer ADME (Absorption, Dispersion, Metabolism, Excretion) properties of arbitrary small "drug-like" molecules using a mix of ML (MLP + sever
by the__alchemist 5mo ago
Yo! I am trying to infer ADME (Absorption, Dispersion, Metabolism, Excretion) properties of arbitrary small "drug-like" molecules using a mix of ML (MLP + several GNNs), and molecular dynamics. As a standalone GUI program + split out into crates.