[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
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Updated
May 13, 2024 - Python
[ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback
A collection of deep reinforcement learning-based & GFlowNet drug molecule generators focused on generation of molecules using Graphs/SELFIES guided by modern retrosynthesis tools to increase synthetic accessibility of de-novo designed drugs.
SMILES, SELFIES and Reaction SMILES augmentation using RDKit
Turn your daily selfies into a timelapse video
Selfie magically uploads to your esp32 OLED screen from your phone
⬢⬢⬢ Organizing and processing tables of chemical structures.
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