Prakhya15-v32-Conditional-Generation

Conditional molecular generation model based on Prakhya15-v3-full.

Evaluation

Metric Score
Validity 99.0%
Uniqueness 62.6%
QED MAE 0.146
HBA MAE 0.475
Scaffold Retention 49.5%
Mean Scaffold Similarity 0.775

QED Control

Target Generated
0.2 0.509
0.5 0.658
0.9 0.735

This model supports conditioning on:

  • QED
  • HBA
  • Murcko Scaffold
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