3 ms·
I'm no chemist, but from a comp sci perspective the title claim seems overstrong. One can show that certain models of one category outperform certain models of
by evrydayhustling 2y ago
I'm no chemist, but from a comp sci perspective the title claim seems overstrong. One can show that certain models of one category outperform certain models of another on certain benchmarks, or first demonstrate some impressive result with a mode based on such a contrary insight. But it's very very hard to prove that a whole category - e.g. models eliminating invalid SMILES - won't lead to competitive results.
- Grimblewald 2y agoas a chemist, it does make sense to allow 'invalid' things, you're learning a distribution of numbers, it makes no sense to only allow the numbers you expect, where if you know what to expect, why do you need a model?