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Frank Noe
franknoe.bsky.social
did:plc:ymokcqpdk2u5l5t3ltz4ceem
Quantiative evals: do we sample equilibrium or just something that wiggles? 1st test: fine-tune a model on only 11 D.E.SHAW fast-folding proteins & test on the 12th. Agrees in free energy landscapes, sampled structures and secondary structure content. Error <1 kcal
2024-12-06T08:39:06.609Z