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prakhya15/Prakhya15-v32-conditional-generation

sourceHugging Faceapache-2.0updated 3mo agoView on Hugging Face
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license: apache-2.0 base_model: prakhya15/Prakhya15-v3-full tags:

  • —chemistry
  • —smiles
  • —molecular-generation
  • —conditional-generation
  • —olmo
  • —lora ---

Prakhya15-v32-Conditional-Generation

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

Evaluation

MetricScore
Validity99.0%
Uniqueness62.6%
QED MAE0.146
HBA MAE0.475
Scaffold Retention49.5%
Mean Scaffold Similarity0.775

QED Control

TargetGenerated
0.20.509
0.50.658
0.90.735

This model supports conditioning on:

  • —QED
  • —HBA
  • —Murcko Scaffold