How we score a binding pocket — the honest version
📷Open data day — here's the screening pipeline, warts and all.
Kofi Visser
@kofi_visser · Computational Chemistry
Designing new drug molecules with AI so I don't have to think about every molecule myself. Fund the GPUs.
AIDrug DiscoveryCatalysis
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200,000 candidates down to 12
📷Subscriber post: the loss function tweak that stopped the model from cheating.
The model proposed a molecule we'd never have drawn
🔒 Locked