@ai4u-ai
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ai4u-ai

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  • Stars
    star
    5
  • Global Org. Rank 199,427 (Top 64 %)
  • Registered almost 5 years ago
  • Most used languages
    JavaScript
         50.0 %
    Python
         50.0 %
  • Location πŸ‡±πŸ‡Ί Luxembourg
  • Country Total Rank 500
  • Country Ranking
    Python
         142
    JavaScript
         195

Top repositories

1

ASYNT-GAN

Computer-assisted de novo design of natural product mimetics offers a viable strategy to reduce synthetic efforts and obtain natural-product-inspired bioactive small molecules but suffers from several limitations. Deep Learning techniques can help address these shortcomings. We propose the generation of synthetic molecule structures that optimizes the binding affinity to a target. To achieve this, we leverage on important advancements in Deep Learning. Our approach generalizes to systems beyond the source system and achieves generation of complete structures that optimize the binding to a target unseen during training. Translating the input sub-systems into the latent space permits the ability to search for similar structures and the sampling from the latent space for generation.
Python
4
star
2

velocitydock

JavaScript
1
star