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DECIMER-Image_Transformer Public
Forked from Kohulan/DECIMER-Image_TransformerDECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging transformer architectures, the model converts chemical images int…
Python MIT License UpdatedApr 15, 2025 -
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Luck-talent-or-vision Public
A simple python reproduction and modification of the 2022 Ig Nobel Prize for Economics "Which Is More Important: Talent or Luck?"
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mcs_sim Public
A structural molecular similarity metric based on fast MCS estimation
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LocalDiff Public
A LocalRetro-like DNN for activation energy prediction for AMSG member training
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PeptideTempVAE Public
Coupling softmax with temperature factor on VAE to design anti-microbial peptides (AMPs).
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Use Monte-Carlo dropout to quantify the uncertainty and excludes the uncertain prediction against CYP450 inhibition dataset.
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ChemSearchDQN Public
Chemical DQN used for learning real world dataset
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Use embedded Morgan Fingerprints to build message passing neural network for molecule property prediction.
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ubuntu-Nginx Public
Forked from Nouvellie/ubuntuAnaconda-Cron-Git-Jupyter-Nginx-Physionet-Service-Vim-Zsh
UpdatedJan 13, 2020
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